CAS
915754-88-0 Purity
96%
915754-88-0 Purity
96%
Shopping basket
5-(Phenylsulfonyl)-2-(trifluoromethyl)aniline
CAS
915763-83-6
Catalog Number
ACM915763836
Category
Other Products
Molecular Weight
301.28421;g/mol
Molecular Formula
C13H10F3NO2S
If you have any other questions or need other size, please get a quote.
- Product Description
- Case Study
- Custom Reviews
- Custom Q&A
- Synthetic Use
- Related Resources
Specification
IUPAC Name
5-(benzenesulfonyl)-2-(trifluoromethyl)aniline
SMILES
C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C(F)(F)F)N
InChI Key
JNLPAVGXQZPUNU-UHFFFAOYSA-N
What is the molecular formula of the compound described in the reference?
The molecular formula is C13H10F3NO2S.
What is the molecular weight of the compound?
The molecular weight is 301.29 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 5-(benzenesulfonyl)-2-(trifluoromethyl)aniline.
What is the InChI of the compound?
The InChI is InChI=1S/C13H10F3NO2S/c14-13(15,16)11-7-6-10(8-12(11)17)20(18,19)9-4-2-1-3-5-9/h1-8H,17H2.
What is the InChIKey of the compound?
The InChIKey is JNLPAVGXQZPUNU-UHFFFAOYSA-N.
What is the canonical SMILES notation of the compound?
The canonical SMILES is C1=CC=C(C=C1)S(=O)(=O)C2=CC(=C(C=C2)C(F)(F)F)N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 6 hydrogen bond acceptor counts.
What is the topological polar surface area of the compound?
The topological polar surface area is 68.5 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
Please kindly note that our products are for research use only.
Recommended Products
CAS
91576-34-0 Purity
---
91576-34-0 Purity
---
CAS
915781-03-2 Purity
---
915781-03-2 Purity
---
