4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide

C21H17ClN2O4S — CID 10387892

IUPAC4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C21H17ClN2O4S/c1-13-3-4-16(12-23-13)21(26)19-11-17(22)7-10-20(19)24-29(27,28)18-8-5-15(6-9-18)14(2)25/h3-12,24H,1-2H3
InChIKeyHKMPLSIYHIFSIE-UHFFFAOYSA-N
MW428.90 g/mol
LogP4.28
Rot. Bonds6

About 4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide

4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide (PubChem CID 10387892) has the molecular formula C21H17ClN2O4S and a molecular weight of 428.90 g/mol. Its IUPAC name is 4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
PubChem CID10387892
Molecular FormulaC21H17ClN2O4S
Molecular Weight428.90 g/mol
Exact Mass428.06
IUPAC Name4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc(C)nc2)cc1
InChIInChI=1S/C21H17ClN2O4S/c1-13-3-4-16(12-23-13)21(26)19-11-17(22)7-10-20(19)24-29(27,28)18-8-5-15(6-9-18)14(2)25/h3-12,24H,1-2H3
InChIKeyHKMPLSIYHIFSIE-UHFFFAOYSA-N
XLogP4.28
TPSA93.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.90
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Related Compounds

3,4-dichloro-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 59485472
N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]-4-(4-methyl-1,3-oxazol-5-yl)benzenesulfonamide
CID 59788722
N-[4-chloro-2-(6-chloropyridine-3-carbonyl)phenyl]-4-prop-1-en-2-ylbenzenesulfonamide
CID 88856886
4-chloro-N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]benzenesulfonamide
CID 10386667
4-acetyl-N-(4-chloro-2-iodophenyl)benzenesulfonamide
CID 103763982
N-[4-chloro-2-(pyridine-3-carbonyl)phenyl]-4-(iodomethyl)benzenesulfonamide
CID 89372827
N-[4-chloro-2-methyl-6-(6-methylpyridine-3-carbonyl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 143141192
4-acetyl-N-[4-bromo-2-(pyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10434326
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
4-tert-butyl-N-[4-chloro-2-(2-methylsulfanylpyridine-4-carbonyl)phenyl]benzenesulfonamide
CID 10096486

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide (CID 10387892) is 4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)c2ccc(C)nc2)cc1.
What is the InChIKey of 4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide?
The InChIKey is HKMPLSIYHIFSIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2O4S/c1-13-3-4-16(12-23-13)21(26)19-11-17(22)7-10-20(19)24-29(27,28)18-8-5-15(6-9-18)14(2)25/h3-12,24H,1-2H3.
What are the key properties of 4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide?
4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide has a molecular weight of 428.90 g/mol, XLogP of 4.28, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[4-chloro-2-(6-methylpyridine-3-carbonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 10387892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).