2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide

C22H20Cl2N2O3S — CID 23792056

IUPAC2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C22H20Cl2N2O3S/c1-15-6-9-19(12-16(15)2)25-22(27)14-26(20-5-3-4-18(24)13-20)30(28,29)21-10-7-17(23)8-11-21/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyXECURQRUWOYEGP-UHFFFAOYSA-N
MW463.39 g/mol
LogP5.44
Rot. Bonds6

About 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide (PubChem CID 23792056) has the molecular formula C22H20Cl2N2O3S and a molecular weight of 463.39 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
PubChem CID23792056
Molecular FormulaC22H20Cl2N2O3S
Molecular Weight463.39 g/mol
Exact Mass462.06
IUPAC Name2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
SMILESCc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C22H20Cl2N2O3S/c1-15-6-9-19(12-16(15)2)25-22(27)14-26(20-5-3-4-18(24)13-20)30(28,29)21-10-7-17(23)8-11-21/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyXECURQRUWOYEGP-UHFFFAOYSA-N
XLogP5.44
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.39
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171177
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23767179
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30169816
N-(4-bromophenyl)-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126034977
2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)-N-naphthalen-2-ylacetamide
CID 126139039
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881654
2-(3-bromo-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30171324
N-(4-bromo-3-methylphenyl)-2-(N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035125
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30170238
2-(N-(4-chlorophenyl)sulfonyl-4-ethoxyanilino)-N-(3,4-dimethylphenyl)acetamide
CID 1363400
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-3-chloroanilino]acetamide
CID 1315963
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881631

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide (CID 23792056) is 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide is Cc1ccc(NC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide?
The InChIKey is XECURQRUWOYEGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O3S/c1-15-6-9-19(12-16(15)2)25-22(27)14-26(20-5-3-4-18(24)13-20)30(28,29)21-10-7-17(23)8-11-21/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide?
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide has a molecular weight of 463.39 g/mol, XLogP of 5.44, 6 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-(3,4-dimethylphenyl)acetamide is sourced from PubChem (CID 23792056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).