N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide

C14H8ClF3N2O2S — CID 124570298

IUPACN-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H8ClF3N2O2S/c15-11-6-5-9(8-19)7-12(11)20-23(21,22)13-4-2-1-3-10(13)14(16,17)18/h1-7,20H
InChIKeyVJXRVHVMNHVNQU-UHFFFAOYSA-N
MW360.74 g/mol
LogP4.03
Rot. Bonds3

About N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide

N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 124570298) has the molecular formula C14H8ClF3N2O2S and a molecular weight of 360.74 g/mol. Its IUPAC name is N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID124570298
Molecular FormulaC14H8ClF3N2O2S
Molecular Weight360.74 g/mol
Exact Mass359.99
IUPAC NameN-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1ccc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H8ClF3N2O2S/c15-11-6-5-9(8-19)7-12(11)20-23(21,22)13-4-2-1-3-10(13)14(16,17)18/h1-7,20H
InChIKeyVJXRVHVMNHVNQU-UHFFFAOYSA-N
XLogP4.03
TPSA69.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.74
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide (CID 124570298) is N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide is N#Cc1ccc(Cl)c(NS(=O)(=O)c2ccccc2C(F)(F)F)c1.
What is the InChIKey of N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is VJXRVHVMNHVNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O2S/c15-11-6-5-9(8-19)7-12(11)20-23(21,22)13-4-2-1-3-10(13)14(16,17)18/h1-7,20H.
What are the key properties of N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide?
N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 360.74 g/mol, XLogP of 4.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-cyanophenyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 124570298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).