N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide

C20H16ClNO3S — CID 91653506

IUPACN-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H16ClNO3S/c1-14-10-11-19(18(12-14)20(23)15-6-3-2-4-7-15)22-26(24,25)17-9-5-8-16(21)13-17/h2-13,22H,1H3
InChIKeyLILZDGMNIAUMSA-UHFFFAOYSA-N
MW385.87 g/mol
LogP4.68
Rot. Bonds5

About N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide

N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide (PubChem CID 91653506) has the molecular formula C20H16ClNO3S and a molecular weight of 385.87 g/mol. Its IUPAC name is N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
PubChem CID91653506
Molecular FormulaC20H16ClNO3S
Molecular Weight385.87 g/mol
Exact Mass385.05
IUPAC NameN-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)c2ccccc2)c1
InChIInChI=1S/C20H16ClNO3S/c1-14-10-11-19(18(12-14)20(23)15-6-3-2-4-7-15)22-26(24,25)17-9-5-8-16(21)13-17/h2-13,22H,1H3
InChIKeyLILZDGMNIAUMSA-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

N-[2-(3-chlorobenzoyl)-4-methylphenyl]-4-ethylbenzenesulfonamide
CID 70842369
N-(2-benzoyl-4-chlorophenyl)-4-fluoro-3-methylbenzenesulfonamide
CID 100695353
N-(2-benzoyl-5-chlorophenyl)-4-methylbenzenesulfonamide
CID 19133397
4-methyl-N-[4-methyl-2-(4-methylbenzoyl)phenyl]benzenesulfonamide
CID 13139068
N-(2-benzoyl-4-chlorophenyl)-4-(ethylamino)benzenesulfonamide
CID 10093266
3-[(2-chloro-5-methylphenyl)sulfamoyl]benzoic acid
CID 103768285
2-[(3-chlorophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330272
2-[(3-chlorophenyl)sulfonylamino]-5-ethylbenzoic acid
CID 11724797
3-chloro-N-(2-methylphenyl)benzenesulfonamide
CID 26952259
N-(2-benzoyl-4-methylphenyl)-2,5-dichlorobenzamide
CID 23879994
N-(2,4-dichlorophenyl)-2-[(3-methylphenyl)sulfonylamino]benzamide
CID 158200671
N-(2-benzoyl-4-methylphenyl)-3-ethylsulfonylbenzamide
CID 7295227

Frequently Asked Questions

What is the IUPAC name of N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide (CID 91653506) is N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2cccc(Cl)c2)c(C(=O)c2ccccc2)c1.
What is the InChIKey of N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide?
The InChIKey is LILZDGMNIAUMSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClNO3S/c1-14-10-11-19(18(12-14)20(23)15-6-3-2-4-7-15)22-26(24,25)17-9-5-8-16(21)13-17/h2-13,22H,1H3.
What are the key properties of N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide?
N-(2-benzoyl-4-methylphenyl)-3-chlorobenzenesulfonamide 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-4-methylphenyl)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 91653506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).