4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide

C22H21ClN2O3S — CID 1289635

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-3-16-6-4-5-7-21(16)24-22(26)17-8-12-19(13-9-17)25(2)29(27,28)20-14-10-18(23)11-15-20/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyHESUBFNSFHPSIX-UHFFFAOYSA-N
MW428.94 g/mol
LogP4.98
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide (PubChem CID 1289635) has the molecular formula C22H21ClN2O3S and a molecular weight of 428.94 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide
PubChem CID1289635
Molecular FormulaC22H21ClN2O3S
Molecular Weight428.94 g/mol
Exact Mass428.10
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C22H21ClN2O3S/c1-3-16-6-4-5-7-21(16)24-22(26)17-8-12-19(13-9-17)25(2)29(27,28)20-14-10-18(23)11-15-20/h4-15H,3H2,1-2H3,(H,24,26)
InChIKeyHESUBFNSFHPSIX-UHFFFAOYSA-N
XLogP4.98
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.94
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
CID 1363267
N-(2-hydroxyphenyl)-4-[methyl(phenyl)sulfamoyl]benzamide
CID 18126261
N-(2-ethylsulfonylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 55613605
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 2966457
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1R)-1-phenylpropyl]benzamide
CID 92683507
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(3,5-dimethylphenyl)benzamide
CID 5200570
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]benzoic acid
CID 1339367
4-chloro-2-[[4-[methyl(phenyl)sulfamoyl]benzoyl]amino]-N-propan-2-ylbenzamide
CID 55807376
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
2-[[4-[benzenesulfonyl(methyl)amino]benzoyl]amino]-N-butan-2-ylbenzamide
CID 2943385
N-butan-2-yl-2-[[4-[methyl-(4-methylphenyl)sulfonylamino]benzoyl]amino]benzamide
CID 2947855
N-(2-acetylphenyl)-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 26067652

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide (CID 1289635) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccc(N(C)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide?
The InChIKey is HESUBFNSFHPSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3S/c1-3-16-6-4-5-7-21(16)24-22(26)17-8-12-19(13-9-17)25(2)29(27,28)20-14-10-18(23)11-15-20/h4-15H,3H2,1-2H3,(H,24,26).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide has a molecular weight of 428.94 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 1289635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).