4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide

C23H21ClN2O4S — CID 17482618

IUPAC4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C23H21ClN2O4S/c1-16(27)18-8-12-22(13-9-18)31(29,30)25-21-10-6-19(7-11-21)23(28)26(2)15-17-4-3-5-20(24)14-17/h3-14,25H,15H2,1-2H3
InChIKeyCRSSHIUCIHGXID-UHFFFAOYSA-N
MW456.95 g/mol
LogP4.62
Rot. Bonds7

About 4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide

4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide (PubChem CID 17482618) has the molecular formula C23H21ClN2O4S and a molecular weight of 456.95 g/mol. Its IUPAC name is 4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
PubChem CID17482618
Molecular FormulaC23H21ClN2O4S
Molecular Weight456.95 g/mol
Exact Mass456.09
IUPAC Name4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
SMILESCC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)cc1
InChIInChI=1S/C23H21ClN2O4S/c1-16(27)18-8-12-22(13-9-18)31(29,30)25-21-10-6-19(7-11-21)23(28)26(2)15-17-4-3-5-20(24)14-17/h3-14,25H,15H2,1-2H3
InChIKeyCRSSHIUCIHGXID-UHFFFAOYSA-N
XLogP4.62
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.95
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(benzenesulfonamido)-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 24660209
3-acetamido-N-[(3-chlorophenyl)methyl]-N-methylbenzamide
CID 27795286
4-[(4-acetylphenyl)sulfonyl-methylamino]-N-[(3-chlorophenyl)methyl]-N-methylbutanamide
CID 18112539
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
N-[(2-chlorophenyl)methyl]-4-[(4-fluorophenyl)sulfonylamino]-N-methylbenzamide
CID 26594107
N-[2-(3-chlorophenyl)ethyl]-4-[(4-fluorophenyl)sulfonylamino]benzamide
CID 46807280
N-[(3-chlorophenyl)methyl]-N-methyl-4-pyrrol-1-ylbenzamide
CID 24545195
N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
N-[(4-ethylphenyl)methyl]-4-[(4-methoxyphenyl)sulfamoyl]-N-methylbenzamide
CID 24546779
4-bromo-N-[(3-chlorophenyl)methyl]-3-(dimethylsulfamoyl)-N-methylbenzamide
CID 26893018
4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylbenzamide
CID 55349044
N-[(3-chlorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 46446299

Frequently Asked Questions

What is the IUPAC name of 4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The IUPAC name of 4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide (CID 17482618) is 4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The canonical SMILES for 4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide is CC(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)N(C)Cc3cccc(Cl)c3)cc2)cc1.
What is the InChIKey of 4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
The InChIKey is CRSSHIUCIHGXID-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2O4S/c1-16(27)18-8-12-22(13-9-18)31(29,30)25-21-10-6-19(7-11-21)23(28)26(2)15-17-4-3-5-20(24)14-17/h3-14,25H,15H2,1-2H3.
What are the key properties of 4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide?
4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide has a molecular weight of 456.95 g/mol, XLogP of 4.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-acetylphenyl)sulfonylamino]-N-[(3-chlorophenyl)methyl]-N-methylbenzamide is sourced from PubChem (CID 17482618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).