N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide

C14H8ClF3N2O3S — CID 129402687

IUPACN-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl
InChIInChI=1S/C14H8ClF3N2O3S/c15-11-7-10(6-5-9(11)8-19)20-24(21,22)13-4-2-1-3-12(13)23-14(16,17)18/h1-7,20H
InChIKeyQCXPQTDITRAXMF-UHFFFAOYSA-N
MW376.74 g/mol
LogP3.91
Rot. Bonds4

About N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 129402687) has the molecular formula C14H8ClF3N2O3S and a molecular weight of 376.74 g/mol. Its IUPAC name is N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID129402687
Molecular FormulaC14H8ClF3N2O3S
Molecular Weight376.74 g/mol
Exact Mass375.99
IUPAC NameN-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl
InChIInChI=1S/C14H8ClF3N2O3S/c15-11-7-10(6-5-9(11)8-19)20-24(21,22)13-4-2-1-3-12(13)23-14(16,17)18/h1-7,20H
InChIKeyQCXPQTDITRAXMF-UHFFFAOYSA-N
XLogP3.91
TPSA79.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.74
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 129402687) is N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide is N#Cc1ccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cc1Cl.
What is the InChIKey of N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is QCXPQTDITRAXMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2O3S/c15-11-7-10(6-5-9(11)8-19)20-24(21,22)13-4-2-1-3-12(13)23-14(16,17)18/h1-7,20H.
What are the key properties of N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 376.74 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-cyanophenyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 129402687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).