N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide

C12H7ClFN3O2S — CID 107807709

IUPACN-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ncccc2F)c(Cl)c1
InChIInChI=1S/C12H7ClFN3O2S/c13-9-6-8(7-15)3-4-11(9)17-20(18,19)12-10(14)2-1-5-16-12/h1-6,17H
InChIKeyBRAMZJVIMCXZNE-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.55
Rot. Bonds3

About N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide

N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide (PubChem CID 107807709) has the molecular formula C12H7ClFN3O2S and a molecular weight of 311.73 g/mol. Its IUPAC name is N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
PubChem CID107807709
Molecular FormulaC12H7ClFN3O2S
Molecular Weight311.73 g/mol
Exact Mass310.99
IUPAC NameN-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
SMILESN#Cc1ccc(NS(=O)(=O)c2ncccc2F)c(Cl)c1
InChIInChI=1S/C12H7ClFN3O2S/c13-9-6-8(7-15)3-4-11(9)17-20(18,19)12-10(14)2-1-5-16-12/h1-6,17H
InChIKeyBRAMZJVIMCXZNE-UHFFFAOYSA-N
XLogP2.55
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.73
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299415
N-(4-chloro-2-hydroxyphenyl)-3-fluoropyridine-2-sulfonamide
CID 103300750
N-(2-bromo-4-chlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103300294
N-(2,3-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299163
N-(2-chloro-4-cyanophenyl)-2,4-difluorobenzenesulfonamide
CID 103791874
3-fluoro-N-(2-fluorophenyl)pyridine-2-sulfonamide
CID 103299037
5-amino-N-(2-chloro-4-cyanophenyl)-2-fluorobenzenesulfonamide
CID 107806943
N-(4-bromo-2-fluorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299113
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127
N-(2-cyano-3-methylphenyl)-3-fluoropyridine-2-sulfonamide
CID 107804251
3-amino-N-(2-chloro-4-fluorophenyl)pyridine-2-sulfonamide
CID 103304304
2-amino-N-(2-chloro-4-cyanophenyl)pyrimidine-5-sulfonamide
CID 107810158

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide?
The IUPAC name of N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide (CID 107807709) is N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide?
The canonical SMILES for N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide is N#Cc1ccc(NS(=O)(=O)c2ncccc2F)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide?
The InChIKey is BRAMZJVIMCXZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O2S/c13-9-6-8(7-15)3-4-11(9)17-20(18,19)12-10(14)2-1-5-16-12/h1-6,17H.
What are the key properties of N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide?
N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide has a molecular weight of 311.73 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide is sourced from PubChem (CID 107807709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).