4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide

C16H17ClN4O4S — CID 9479430

IUPAC4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CNC(=O)c2cc(Cl)ccn2)ccc1C
InChIInChI=1S/C16H17ClN4O4S/c1-10-3-4-12(8-14(10)26(24,25)18-2)21-15(22)9-20-16(23)13-7-11(17)5-6-19-13/h3-8,18H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHDSALJINIXDKQM-UHFFFAOYSA-N
MW396.86 g/mol
LogP1.32
Rot. Bonds6

About 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide

4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 9479430) has the molecular formula C16H17ClN4O4S and a molecular weight of 396.86 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID9479430
Molecular FormulaC16H17ClN4O4S
Molecular Weight396.86 g/mol
Exact Mass396.07
IUPAC Name4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CNC(=O)c2cc(Cl)ccn2)ccc1C
InChIInChI=1S/C16H17ClN4O4S/c1-10-3-4-12(8-14(10)26(24,25)18-2)21-15(22)9-20-16(23)13-7-11(17)5-6-19-13/h3-8,18H,9H2,1-2H3,(H,20,23)(H,21,22)
InChIKeyHDSALJINIXDKQM-UHFFFAOYSA-N
XLogP1.32
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.86
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide 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

4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
4-chloro-N-[2-(3-methylanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9039107
4-chloro-N-[2-(naphthalen-2-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068575
4-chloro-N-[2-oxo-2-(4-propylanilino)ethyl]pyridine-2-carboxamide
CID 9225392
2-(3,4-dichlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107151
methyl 3-[[2-[(4-chloropyridine-2-carbonyl)amino]acetyl]amino]-4-methylbenzoate
CID 9378201
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191
2-(2-methoxyethylamino)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 78912544
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371
[2-(4-tert-butylanilino)-2-oxoethyl] 2-[(4-chloropyridine-2-carbonyl)amino]acetate
CID 8820693
3-amino-N-[4-methyl-3-(methylsulfamoyl)phenyl]propanamide;hydrochloride
CID 119270679
N-[4-methyl-3-(methylsulfamoyl)phenyl]-2-[[(1S)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 8923998

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide (CID 9479430) is 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide is CNS(=O)(=O)c1cc(NC(=O)CNC(=O)c2cc(Cl)ccn2)ccc1C.
What is the InChIKey of 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is HDSALJINIXDKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O4S/c1-10-3-4-12(8-14(10)26(24,25)18-2)21-15(22)9-20-16(23)13-7-11(17)5-6-19-13/h3-8,18H,9H2,1-2H3,(H,20,23)(H,21,22).
What are the key properties of 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide?
4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 396.86 g/mol, XLogP of 1.32, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-methyl-3-(methylsulfamoyl)anilino]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 9479430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).