2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

C23H24ClN3O6S2 — CID 1210673

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C23H24ClN3O6S2/c1-26(34(3,29)30)18-9-7-8-17(14-18)25-23(28)16-27(19-12-13-22(33-2)21(24)15-19)35(31,32)20-10-5-4-6-11-20/h4-15H,16H2,1-3H3,(H,25,28)
InChIKeyOUYUOGUZCYHCKN-UHFFFAOYSA-N
MW538.05 g/mol
LogP3.58
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (PubChem CID 1210673) has the molecular formula C23H24ClN3O6S2 and a molecular weight of 538.05 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
PubChem CID1210673
Molecular FormulaC23H24ClN3O6S2
Molecular Weight538.05 g/mol
Exact Mass537.08
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide
SMILESCOc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C23H24ClN3O6S2/c1-26(34(3,29)30)18-9-7-8-17(14-18)25-23(28)16-27(19-12-13-22(33-2)21(24)15-19)35(31,32)20-10-5-4-6-11-20/h4-15H,16H2,1-3H3,(H,25,28)
InChIKeyOUYUOGUZCYHCKN-UHFFFAOYSA-N
XLogP3.58
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500538.05
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 2954170
CID 2954170
CID 1134581
CID 1134581
CID 1134627
CID 1134627
CID 1006478
CID 1006478
CID 1105780
CID 1105780
CID 1105782
CID 1105782
CID 1105794
CID 1105794
CID 1108099
CID 1108099
CID 1108101
CID 1108101
CID 1210669
CID 1210669
CID 1316149
CID 1316149
CID 1318503
CID 1318503

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide (CID 1210673) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is COc1ccc(N(CC(=O)Nc2cccc(N(C)S(C)(=O)=O)c2)S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
The InChIKey is OUYUOGUZCYHCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O6S2/c1-26(34(3,29)30)18-9-7-8-17(14-18)25-23(28)16-27(19-12-13-22(33-2)21(24)15-19)35(31,32)20-10-5-4-6-11-20/h4-15H,16H2,1-3H3,(H,25,28).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide has a molecular weight of 538.05 g/mol, XLogP of 3.58, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-[3-[methyl(methylsulfonyl)amino]phenyl]acetamide is sourced from PubChem (CID 1210673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).