2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide

C13H9ClFN3O2S — CID 61045161

IUPAC2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1c(F)cc(C#N)cc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H9ClFN3O2S/c1-8-10(15)5-9(7-16)6-11(8)18-21(19,20)12-3-2-4-17-13(12)14/h2-6,18H,1H3
InChIKeyZRHFJPVHTTYKOF-UHFFFAOYSA-N
MW325.75 g/mol
LogP2.86
Rot. Bonds3

About 2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide

2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide (PubChem CID 61045161) has the molecular formula C13H9ClFN3O2S and a molecular weight of 325.75 g/mol. Its IUPAC name is 2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
PubChem CID61045161
Molecular FormulaC13H9ClFN3O2S
Molecular Weight325.75 g/mol
Exact Mass325.01
IUPAC Name2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
SMILESCc1c(F)cc(C#N)cc1NS(=O)(=O)c1cccnc1Cl
InChIInChI=1S/C13H9ClFN3O2S/c1-8-10(15)5-9(7-16)6-11(8)18-21(19,20)12-3-2-4-17-13(12)14/h2-6,18H,1H3
InChIKeyZRHFJPVHTTYKOF-UHFFFAOYSA-N
XLogP2.86
TPSA82.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.75
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(2-bromo-4-cyanophenyl)-2-chloropyridine-3-sulfonamide
CID 61052379
2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62816422
2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
CID 62811983
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
N-(5-cyano-3-fluoro-2-methylphenyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61274022
2-chloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
CID 43388263
2-chloro-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62814206
2-chloro-N-(3-cyano-4,5-dimethylthiophen-2-yl)pyridine-3-sulfonamide
CID 61052071
N-(2-chloro-4-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 107807709
N-(3-chloropyrazin-2-yl)-4-cyano-2-methylbenzenesulfonamide
CID 106999202
2-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-sulfonamide
CID 24621377
2-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61046258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide (CID 61045161) is 2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide is Cc1c(F)cc(C#N)cc1NS(=O)(=O)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
The InChIKey is ZRHFJPVHTTYKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3O2S/c1-8-10(15)5-9(7-16)6-11(8)18-21(19,20)12-3-2-4-17-13(12)14/h2-6,18H,1H3.
What are the key properties of 2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide?
2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide has a molecular weight of 325.75 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 61045161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).