4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride

C15H14ClNO3S — CID 98622583

IUPAC4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
SMILESCc1ccc(C(=O)NCc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11-2-6-13(7-3-11)15(18)17-10-12-4-8-14(9-5-12)21(16,19)20/h2-9H,10H2,1H3,(H,17,18)
InChIKeyZGYYIDDHSNXSAF-UHFFFAOYSA-N
MW323.80 g/mol
LogP2.85
Rot. Bonds4

About 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride

4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride (PubChem CID 98622583) has the molecular formula C15H14ClNO3S and a molecular weight of 323.80 g/mol. Its IUPAC name is 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride.

Molecular Properties

Compound Name4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
PubChem CID98622583
Molecular FormulaC15H14ClNO3S
Molecular Weight323.80 g/mol
Exact Mass323.04
IUPAC Name4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride
SMILESCc1ccc(C(=O)NCc2ccc(S(=O)(=O)Cl)cc2)cc1
InChIInChI=1S/C15H14ClNO3S/c1-11-2-6-13(7-3-11)15(18)17-10-12-4-8-14(9-5-12)21(16,19)20/h2-9H,10H2,1H3,(H,17,18)
InChIKeyZGYYIDDHSNXSAF-UHFFFAOYSA-N
XLogP2.85
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.80
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride 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-(difluoromethylsulfonyl)-N-[(4-methylphenyl)methyl]benzamide
CID 2671565
N-[[4-(2-hydroxyethylsulfonyl)phenyl]methyl]-4-methylbenzamide
CID 119048599
N-[(4-methylphenyl)methyl]-6-(4-methylphenyl)sulfonylpyridine-3-carboxamide
CID 52905714
N-[(4-tert-butylphenyl)methyl]-4-methylbenzamide
CID 97423443
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-methylbenzamide
CID 108758979
N-[(4-methylphenyl)methyl]-4-piperidin-1-ylsulfonylbenzamide
CID 2694596
N-[(4-chlorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26912045
4-[(2-chlorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 9046795
4-[(1H-pyrazole-4-carbonylamino)methyl]benzenesulfonyl chloride
CID 55179604
4-(methylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 62167130
N-[(4-methylphenyl)methyl]-4-phenylbenzamide
CID 1228171
4-[(4-fluorophenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]benzamide
CID 26850932

Frequently Asked Questions

What is the IUPAC name of 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride?
The IUPAC name of 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride (CID 98622583) is 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride.
What is the SMILES notation for 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride?
The canonical SMILES for 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride is Cc1ccc(C(=O)NCc2ccc(S(=O)(=O)Cl)cc2)cc1.
What is the InChIKey of 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride?
The InChIKey is ZGYYIDDHSNXSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO3S/c1-11-2-6-13(7-3-11)15(18)17-10-12-4-8-14(9-5-12)21(16,19)20/h2-9H,10H2,1H3,(H,17,18).
What are the key properties of 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride?
4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride has a molecular weight of 323.80 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4-methylbenzoyl)amino]methyl]benzenesulfonyl chloride is sourced from PubChem (CID 98622583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).