4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide

C23H23ClN2O3S — CID 1363267

IUPAC4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-3-18-6-4-5-7-22(18)25-23(27)19-10-14-21(15-11-19)26(30(2,28)29)16-17-8-12-20(24)13-9-17/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyRKUSJXMNUMJFAH-UHFFFAOYSA-N
MW442.97 g/mol
LogP5.12
Rot. Bonds7

About 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide

4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide (PubChem CID 1363267) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
PubChem CID1363267
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide
SMILESCCc1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-3-18-6-4-5-7-22(18)25-23(27)19-10-14-21(15-11-19)26(30(2,28)29)16-17-8-12-20(24)13-9-17/h4-15H,3,16H2,1-2H3,(H,25,27)
InChIKeyRKUSJXMNUMJFAH-UHFFFAOYSA-N
XLogP5.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.97
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-methylphenyl)-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1357728
2-[[4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-propylbenzamide
CID 126328223
N-[(2-chlorophenyl)methyl]-4-[(4-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1210619
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-(2-ethylphenyl)benzamide
CID 1289635
N-(3-chloro-2-methylphenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 23761147
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(2-methoxyphenyl)methyl]benzamide
CID 1117135
N-(2-bromophenyl)-4-[(4-methylphenyl)methyl-methylsulfonylamino]benzamide
CID 1326540
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[4-(diethylsulfamoyl)phenyl]benzamide
CID 1296028
4-(4-chloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 9173695
2-[[4-[(N-methylsulfonylanilino)methyl]benzoyl]amino]benzamide
CID 23821515
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-(4-ethylphenyl)ethyl]benzamide
CID 100544112
4-[(4-methylphenyl)methyl-methylsulfonylamino]-N-(2-phenylphenyl)benzamide
CID 982641

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide (CID 1363267) is 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide is CCc1ccccc1NC(=O)c1ccc(N(Cc2ccc(Cl)cc2)S(C)(=O)=O)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide?
The InChIKey is RKUSJXMNUMJFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-3-18-6-4-5-7-22(18)25-23(27)19-10-14-21(15-11-19)26(30(2,28)29)16-17-8-12-20(24)13-9-17/h4-15H,3,16H2,1-2H3,(H,25,27).
What are the key properties of 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide?
4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide has a molecular weight of 442.97 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chlorophenyl)methyl-methylsulfonylamino]-N-(2-ethylphenyl)benzamide is sourced from PubChem (CID 1363267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).