2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide

C11H6ClF3N2O2S — CID 62816422

IUPAC2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(F)cc1F)c1cccnc1Cl
InChIInChI=1S/C11H6ClF3N2O2S/c12-11-10(2-1-3-16-11)20(18,19)17-9-5-7(14)6(13)4-8(9)15/h1-5,17H
InChIKeyIURLQOUDQWZXPQ-UHFFFAOYSA-N
MW322.70 g/mol
LogP2.95
Rot. Bonds3

About 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide

2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide (PubChem CID 62816422) has the molecular formula C11H6ClF3N2O2S and a molecular weight of 322.70 g/mol. Its IUPAC name is 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
PubChem CID62816422
Molecular FormulaC11H6ClF3N2O2S
Molecular Weight322.70 g/mol
Exact Mass321.98
IUPAC Name2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide
SMILESO=S(=O)(Nc1cc(F)c(F)cc1F)c1cccnc1Cl
InChIInChI=1S/C11H6ClF3N2O2S/c12-11-10(2-1-3-16-11)20(18,19)17-9-5-7(14)6(13)4-8(9)15/h1-5,17H
InChIKeyIURLQOUDQWZXPQ-UHFFFAOYSA-N
XLogP2.95
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.70
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-N-(3,4,5-trifluorophenyl)pyridine-3-sulfonamide
CID 62814206
2-chloro-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656
2-chloro-N-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
CID 62811983
2-chloro-N-(5-cyano-3-fluoro-2-methylphenyl)pyridine-3-sulfonamide
CID 61045161
2-chloro-N-(5-chloro-2-methoxyphenyl)pyridine-3-sulfonamide
CID 43388263
2-chloro-N-(2-ethoxy-4-fluorophenyl)pyridine-3-sulfonamide
CID 61046258
2-chloro-N-quinolin-8-ylpyridine-3-sulfonamide
CID 24621400
2-amino-N-(2,5-difluoro-4-methylphenyl)pyridine-3-sulfonamide
CID 103584410
N-(2,5-difluoro-4-methylphenyl)-2-(methylamino)pyridine-3-sulfonamide
CID 103587233
N-(5-chloro-2-fluorophenyl)-2-cyanopyridine-3-sulfonamide
CID 106595617
2-chloro-N-pyridin-2-ylpyridine-3-sulfonamide
CID 43415000
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide (CID 62816422) is 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide is O=S(=O)(Nc1cc(F)c(F)cc1F)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide?
The InChIKey is IURLQOUDQWZXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O2S/c12-11-10(2-1-3-16-11)20(18,19)17-9-5-7(14)6(13)4-8(9)15/h1-5,17H.
What are the key properties of 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide?
2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide has a molecular weight of 322.70 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,4,5-trifluorophenyl)pyridine-3-sulfonamide is sourced from PubChem (CID 62816422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).