2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide

C21H18Cl2N2O3S — CID 132674716

IUPAC2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-14(15-5-3-2-4-6-15)24-21(26)19-12-9-17(13-20(19)23)25-29(27,28)18-10-7-16(22)8-11-18/h2-14,25H,1H3,(H,24,26)
InChIKeyMSOAJINKJOENSI-UHFFFAOYSA-N
MW449.36 g/mol
LogP5.29
Rot. Bonds6

About 2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide

2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide (PubChem CID 132674716) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
PubChem CID132674716
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
SMILESCC(NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1
InChIInChI=1S/C21H18Cl2N2O3S/c1-14(15-5-3-2-4-6-15)24-21(26)19-12-9-17(13-20(19)23)25-29(27,28)18-10-7-16(22)8-11-18/h2-14,25H,1H3,(H,24,26)
InChIKeyMSOAJINKJOENSI-UHFFFAOYSA-N
XLogP5.29
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500449.36
LogP ≤ 55.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 132664714
4-(benzenesulfonamido)-2-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]benzamide
CID 94013074
4-(benzenesulfonamido)-2-chloro-N-[(1S)-1-phenylpropyl]benzamide
CID 28564561
2-chloro-N-[1-(2-methoxyphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133161311
4-(benzenesulfonamido)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 93486708
2-chloro-N-(3-methylbutan-2-yl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 133250022
2-chloro-N-[(1R)-1-(2,5-dimethylphenyl)ethyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 94018888
4-(benzenesulfonamido)-2-chloro-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 99942022
2-chloro-N-[(4-methylphenyl)-phenylmethyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 43916637
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172
3-[(4-methylphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 19062382
N-[4-(benzenesulfonamido)phenyl]-2,4-dichlorobenzamide
CID 2311784

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide (CID 132674716) is 2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide is CC(NC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2)cc1Cl)c1ccccc1.
What is the InChIKey of 2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
The InChIKey is MSOAJINKJOENSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-14(15-5-3-2-4-6-15)24-21(26)19-12-9-17(13-20(19)23)25-29(27,28)18-10-7-16(22)8-11-18/h2-14,25H,1H3,(H,24,26).
What are the key properties of 2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide?
2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide has a molecular weight of 449.36 g/mol, XLogP of 5.29, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(4-chlorophenyl)sulfonylamino]-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 132674716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).