N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide

C20H16ClNO3S — CID 19133397

IUPACN-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16ClNO3S/c1-14-7-10-17(11-8-14)26(24,25)22-19-13-16(21)9-12-18(19)20(23)15-5-3-2-4-6-15/h2-13,22H,1H3
InChIKeyQKZHTQQIMCQQJL-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.68
Rot. Bonds5

About N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide

N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide (PubChem CID 19133397) has the molecular formula C20H16ClNO3S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
PubChem CID19133397
Molecular FormulaC20H16ClNO3S
Molecular Weight385.87 g/mol
Exact Mass385.05
IUPAC NameN-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)c2ccccc2)cc1
InChIInChI=1S/C20H16ClNO3S/c1-14-7-10-17(11-8-14)26(24,25)22-19-13-16(21)9-12-18(19)20(23)15-5-3-2-4-6-15/h2-13,22H,1H3
InChIKeyQKZHTQQIMCQQJL-UHFFFAOYSA-N
XLogP4.68
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.87
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[(4-methylphenyl)sulfonylamino]benzoyl chloride
CID 12750523
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
CID 91653506
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 1318894
4-methyl-N-[5-methyl-2-(1-phenylethenyl)phenyl]benzenesulfonamide
CID 175305873
N-[4-chloro-2-(N-methoxy-C-phenylcarbonimidoyl)phenyl]-4-methylbenzenesulfonamide
CID 72554014
N-(2-benzoyl-6-fluorophenyl)-4-methylbenzenesulfonamide
CID 169372767
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
methyl 4-chloro-2-[[4-(methylsulfamoyl)phenyl]sulfonylamino]benzoate
CID 39977655
N-(2-benzoyl-5-bromophenyl)-4-methoxybenzenesulfonamide
CID 11212994
(2S)-N-(2-benzoyl-4-chlorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 15327306

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide (CID 19133397) is N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2C(=O)c2ccccc2)cc1.
What is the InChIKey of N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide?
The InChIKey is QKZHTQQIMCQQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3S/c1-14-7-10-17(11-8-14)26(24,25)22-19-13-16(21)9-12-18(19)20(23)15-5-3-2-4-6-15/h2-13,22H,1H3.
What are the key properties of N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide?
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide has a molecular weight of 385.87 g/mol, XLogP of 4.68, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 19133397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).