2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide

C18H15Cl2N3O4S2 — CID 24621317

IUPAC2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15Cl2N3O4S2/c1-12-8-9-13(22-28(24,25)16-7-4-10-21-18(16)20)11-17(12)29(26,27)23-15-6-3-2-5-14(15)19/h2-11,22-23H,1H3
InChIKeyHVAGZEQXJJDYKQ-UHFFFAOYSA-N
MW472.38 g/mol
LogP4.30
Rot. Bonds6

About 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide

2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide (PubChem CID 24621317) has the molecular formula C18H15Cl2N3O4S2 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide
PubChem CID24621317
Molecular FormulaC18H15Cl2N3O4S2
Molecular Weight472.38 g/mol
Exact Mass470.99
IUPAC Name2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C18H15Cl2N3O4S2/c1-12-8-9-13(22-28(24,25)16-7-4-10-21-18(16)20)11-17(12)29(26,27)23-15-6-3-2-5-14(15)19/h2-11,22-23H,1H3
InChIKeyHVAGZEQXJJDYKQ-UHFFFAOYSA-N
XLogP4.30
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]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-(4-fluoro-3-methylphenyl)pyridine-3-sulfonamide
CID 62811983
2-chloro-N-(3-chloro-4-hydroxyphenyl)pyridine-3-sulfonamide
CID 113353666
methyl 4-[[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]sulfamoyl]benzoate
CID 24510134
5-tert-butyl-N-(2-chlorophenyl)-2-methylbenzenesulfonamide
CID 7938602
N-(2-chlorophenyl)-5-fluoro-2-methylbenzenesulfonamide
CID 47308992
2-chloro-N-(2-hydroxyphenyl)pyridine-3-sulfonamide
CID 113220656
2-chloro-N-(2,6-dichlorophenyl)pyridine-3-sulfonamide
CID 60721815
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]quinoline-4-carboxamide
CID 112796034
2-chloro-N-(4-methylsulfonylphenyl)pyridine-3-sulfonamide
CID 24621363
2-chloro-N-(4-propan-2-ylphenyl)pyridine-3-sulfonamide
CID 43388271
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylsulfanylacetamide
CID 9243850
(2R)-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-2-methylbutanamide
CID 35560710

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide?
The IUPAC name of 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide (CID 24621317) is 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide.
What is the SMILES notation for 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide?
The canonical SMILES for 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide is Cc1ccc(NS(=O)(=O)c2cccnc2Cl)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide?
The InChIKey is HVAGZEQXJJDYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N3O4S2/c1-12-8-9-13(22-28(24,25)16-7-4-10-21-18(16)20)11-17(12)29(26,27)23-15-6-3-2-5-14(15)19/h2-11,22-23H,1H3.
What are the key properties of 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide?
2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide has a molecular weight of 472.38 g/mol, XLogP of 4.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]pyridine-3-sulfonamide is sourced from PubChem (CID 24621317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).