N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide

C12H7ClFN3O2S — CID 106595617

IUPACN-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H7ClFN3O2S/c13-8-3-4-9(14)10(6-8)17-20(18,19)12-2-1-5-16-11(12)7-15/h1-6,17H
InChIKeyUPDUTHAZQXPKDN-UHFFFAOYSA-N
MW311.73 g/mol
LogP2.55
Rot. Bonds3

About N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide

N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide (PubChem CID 106595617) has the molecular formula C12H7ClFN3O2S and a molecular weight of 311.73 g/mol. Its IUPAC name is N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide.

Molecular Properties

Compound NameN-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
PubChem CID106595617
Molecular FormulaC12H7ClFN3O2S
Molecular Weight311.73 g/mol
Exact Mass310.99
IUPAC NameN-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
SMILESN#Cc1ncccc1S(=O)(=O)Nc1cc(Cl)ccc1F
InChIInChI=1S/C12H7ClFN3O2S/c13-8-3-4-9(14)10(6-8)17-20(18,19)12-2-1-5-16-11(12)7-15/h1-6,17H
InChIKeyUPDUTHAZQXPKDN-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-(5-chloro-2-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 106598121
2-cyano-N-(2,3,4-trifluorophenyl)pyridine-3-sulfonamide
CID 106595373
N-(5-amino-2,4-difluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593177
N-(4-amino-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593185
N-(2-bromo-5-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106703755
2-cyano-N-(2,6-difluoro-3-pyridinyl)pyridine-3-sulfonamide
CID 106598901
2-cyano-N-(2-cyanophenyl)pyridine-3-sulfonamide
CID 106595115
N-(4-amino-3-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106593210
N-(5-chloro-2-fluorophenyl)-2-hydrazinylbenzenesulfonamide
CID 43455202
N-(2-amino-4-hydroxyphenyl)-2-cyanopyridine-3-sulfonamide
CID 107697867
N-(5-chloro-2-fluorophenyl)-2-hydroxybenzenesulfonamide
CID 81241185
N-[2-(aminomethyl)phenyl]-2-cyanopyridine-3-sulfonamide
CID 106598520

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide?
The IUPAC name of N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide (CID 106595617) is N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide.
What is the SMILES notation for N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide?
The canonical SMILES for N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide is N#Cc1ncccc1S(=O)(=O)Nc1cc(Cl)ccc1F.
What is the InChIKey of N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide?
The InChIKey is UPDUTHAZQXPKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClFN3O2S/c13-8-3-4-9(14)10(6-8)17-20(18,19)12-2-1-5-16-11(12)7-15/h1-6,17H.
What are the key properties of N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide?
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-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-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide is sourced from PubChem (CID 106595617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).