Benzenesulfonamide,N-cyclohexyl-3-nitro-

CAS
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CAS
93125-79-2
Size
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Purity
96%
Price
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Catalog Number

ACM93125792

Product Name

Benzenesulfonamide,N-cyclohexyl-3-nitro-

Structure

Structure

CAS

93125-79-2

Category

Heterocyclic Organic Compound

Synonyms

Ambcb6114601, NCIOpen2_002767, NSC61574, MolPort-002-184-839, CID247208, STK025510, ZINC04369126, N-cyclohexyl-3-nitrobenzenesulfonamide, 93125-79-2

IUPAC Name

N-cyclohexyl-3-nitrobenzenesulfonamide

Molecular Weight

284.33

Molecular Formula

C₁₂H₁₆N₂O₄S

Canonical SMILES

C1CCC(CC1)NS(=O)(=O)C2=CC=CC(=C2)[N+](=O)[O-]

InChI Key

NEMRFPHOJNZVTN-UHFFFAOYSA-N

Boiling Point

444.2ºC at 760mmHg

Flash Point

222.5ºC

Density

1.35g/cm³

Exact Mass

284.08300

H-Bond Acceptor

5

H-Bond Donor

1

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Benzenesulfonamide, N-cyclohexyl-3-nitro?

The molecular formula is C12H16N2O4S.

What is the molecular weight of Benzenesulfonamide, N-cyclohexyl-3-nitro?

The molecular weight is 284.33 g/mol.

What is the IUPAC name of Benzenesulfonamide, N-cyclohexyl-3-nitro?

The IUPAC name is N-cyclohexyl-3-nitrobenzenesulfonamide.

What is the InChI of Benzenesulfonamide, N-cyclohexyl-3-nitro?

The InChI is InChI=1S/C12H16N2O4S/c15-14(16)11-7-4-8-12(9-11)19(17,18)13-10-5-2-1-3-6-10/h4,7-10,13H,1-3,5-6H2.

What is the InChIKey of Benzenesulfonamide, N-cyclohexyl-3-nitro?

The InChIKey is NEMRFPHOJNZVTN-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Benzenesulfonamide, N-cyclohexyl-3-nitro have?

It has 1 hydrogen bond donor count.

What is the XLogP3-AA value of Benzenesulfonamide, N-cyclohexyl-3-nitro?

The XLogP3-AA value is 2.5.

What is the topological polar surface area of Benzenesulfonamide, N-cyclohexyl-3-nitro?

The topological polar surface area is 100 Å2.

How many rotatable bond counts does Benzenesulfonamide, N-cyclohexyl-3-nitro have?

It has 3 rotatable bond counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

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