4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide

C23H23ClN2O3S — CID 132672717

IUPAC4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-16-15-19(23(27)25-17(2)18-7-5-4-6-8-18)9-14-22(16)26(3)30(28,29)21-12-10-20(24)11-13-21/h4-15,17H,1-3H3,(H,25,27)
InChIKeyHWMAJSNVVXEUKG-UHFFFAOYSA-N
MW442.97 g/mol
LogP4.96
Rot. Bonds6

About 4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide

4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide (PubChem CID 132672717) has the molecular formula C23H23ClN2O3S and a molecular weight of 442.97 g/mol. Its IUPAC name is 4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide
PubChem CID132672717
Molecular FormulaC23H23ClN2O3S
Molecular Weight442.97 g/mol
Exact Mass442.11
IUPAC Name4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide
SMILESCc1cc(C(=O)NC(C)c2ccccc2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O3S/c1-16-15-19(23(27)25-17(2)18-7-5-4-6-8-18)9-14-22(16)26(3)30(28,29)21-12-10-20(24)11-13-21/h4-15,17H,1-3H3,(H,25,27)
InChIKeyHWMAJSNVVXEUKG-UHFFFAOYSA-N
XLogP4.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.97
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-chlorophenyl)ethyl]-4-[methyl(phenyl)sulfamoyl]benzamide
CID 112761400
4-[benzenesulfonyl(methyl)amino]-N,3-dimethylbenzamide
CID 50946608
3-[(4-chlorophenyl)sulfonyl-methylamino]-N-[1-(4-fluorophenyl)ethyl]benzamide
CID 132673967
4-[methyl-(4-methylphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 1308883
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(R)-(2-methylphenyl)-phenylmethyl]benzamide
CID 28578950
N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(dimethylsulfamoyl)benzamide
CID 7733415
3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
4-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(1S)-1-(4-fluorophenyl)ethyl]benzamide
CID 92672272
5-[(4-chlorophenyl)sulfonyl-methylamino]-N-(1-phenylethyl)-1-benzothiophene-2-carboxamide
CID 50810455
2-[benzenesulfonyl(methyl)amino]-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43910382
4-amino-N-[1-(4-chlorophenyl)ethyl]-3-methylbenzamide
CID 61117490

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide (CID 132672717) is 4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide is Cc1cc(C(=O)NC(C)c2ccccc2)ccc1N(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide?
The InChIKey is HWMAJSNVVXEUKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O3S/c1-16-15-19(23(27)25-17(2)18-7-5-4-6-8-18)9-14-22(16)26(3)30(28,29)21-12-10-20(24)11-13-21/h4-15,17H,1-3H3,(H,25,27).
What are the key properties of 4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide?
4-[(4-chlorophenyl)sulfonyl-methylamino]-3-methyl-N-(1-phenylethyl)benzamide has a molecular weight of 442.97 g/mol, XLogP of 4.96, 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]-3-methyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 132672717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).