2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

C23H22ClN3O4S — CID 38743723

IUPAC2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22ClN3O4S/c1-25-22(28)17-9-7-16(8-10-17)15-27(2)23(29)20-5-3-4-6-21(20)26-32(30,31)19-13-11-18(24)12-14-19/h3-14,26H,15H2,1-2H3,(H,25,28)
InChIKeyQAZXOWXWVBOMNX-UHFFFAOYSA-N
MW471.97 g/mol
LogP3.77
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide

2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (PubChem CID 38743723) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
PubChem CID38743723
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC Name2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22ClN3O4S/c1-25-22(28)17-9-7-16(8-10-17)15-27(2)23(29)20-5-3-4-6-21(20)26-32(30,31)19-13-11-18(24)12-14-19/h3-14,26H,15H2,1-2H3,(H,25,28)
InChIKeyQAZXOWXWVBOMNX-UHFFFAOYSA-N
XLogP3.77
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-chlorophenyl)methyl]-N-methyl-4-[(2-methylphenyl)sulfamoyl]benzamide
CID 27773866
2-[(4-chlorophenyl)sulfonylamino]-N,N-diethylbenzamide
CID 34838079
N-benzyl-2-[(4-chlorobenzoyl)carbamothioylamino]-N-methylbenzamide
CID 4937543
3-(benzenesulfonamido)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38745291
4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide
CID 55455837
4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
CID 8964829
2-[(2-bromobenzoyl)amino]-N-[(4-chlorophenyl)methyl]-N-methylbenzamide
CID 55358384
4-chloro-N-[(4-chlorophenyl)methyl]-N-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 28568554
5-(dimethylsulfamoyl)-N,2-dimethyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 8966841
4-[(2-iodophenyl)sulfamoyl]-N-methylbenzamide
CID 26781170
1-(4-chlorophenyl)-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 38742483
N-[(4-chlorophenyl)methyl]-N,2-dimethylbenzamide
CID 43908097

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide (CID 38743723) is 2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is CNC(=O)c1ccc(CN(C)C(=O)c2ccccc2NS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
The InChIKey is QAZXOWXWVBOMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-25-22(28)17-9-7-16(8-10-17)15-27(2)23(29)20-5-3-4-6-21(20)26-32(30,31)19-13-11-18(24)12-14-19/h3-14,26H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide?
2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide has a molecular weight of 471.97 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide is sourced from PubChem (CID 38743723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).