2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

C23H22Cl2N2O3S — CID 23767179

IUPAC2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-16(2)17-6-10-20(11-7-17)26-23(28)15-27(21-5-3-4-19(25)14-21)31(29,30)22-12-8-18(24)9-13-22/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyNYYZNDUWKRUOQX-UHFFFAOYSA-N
MW477.41 g/mol
LogP5.95
Rot. Bonds7

About 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (PubChem CID 23767179) has the molecular formula C23H22Cl2N2O3S and a molecular weight of 477.41 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
PubChem CID23767179
Molecular FormulaC23H22Cl2N2O3S
Molecular Weight477.41 g/mol
Exact Mass476.07
IUPAC Name2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
SMILESCC(C)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C23H22Cl2N2O3S/c1-16(2)17-6-10-20(11-7-17)26-23(28)15-27(21-5-3-4-19(25)14-21)31(29,30)22-12-8-18(24)9-13-22/h3-14,16H,15H2,1-2H3,(H,26,28)
InChIKeyNYYZNDUWKRUOQX-UHFFFAOYSA-N
XLogP5.95
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.41
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034977
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 23792056
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881654
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3-chloroanilino]acetamide
CID 1315963
2-[N-(benzenesulfonyl)-3-chloro-4-fluoroanilino]-N-(4-propan-2-ylphenyl)acetamide
CID 53281200
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(1R)-1-(4-methylphenyl)ethyl]acetamide
CID 92672006
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 126180592
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-piperidin-1-ylphenyl)acetamide
CID 100510895
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
CID 46763642
N-(4-acetamidophenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126153307
N-(4-bromophenyl)-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126121109
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 3988953

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide (CID 23767179) is 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is CC(C)c1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
The InChIKey is NYYZNDUWKRUOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22Cl2N2O3S/c1-16(2)17-6-10-20(11-7-17)26-23(28)15-27(21-5-3-4-19(25)14-21)31(29,30)22-12-8-18(24)9-13-22/h3-14,16H,15H2,1-2H3,(H,26,28).
What are the key properties of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide?
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide has a molecular weight of 477.41 g/mol, XLogP of 5.95, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide is sourced from PubChem (CID 23767179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).