2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide

C23H23ClN2O6S — CID 1108101

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C23H23ClN2O6S/c1-30-20-12-10-17(14-19(20)24)26(33(28,29)18-7-5-4-6-8-18)15-23(27)25-16-9-11-21(31-2)22(13-16)32-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyZOUTXAAOKSTWMU-UHFFFAOYSA-N
MW490.97 g/mol
LogP4.20
Rot. Bonds9

About 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide (PubChem CID 1108101) has the molecular formula C23H23ClN2O6S and a molecular weight of 490.97 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide
PubChem CID1108101
Molecular FormulaC23H23ClN2O6S
Molecular Weight490.97 g/mol
Exact Mass490.10
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl
InChIInChI=1S/C23H23ClN2O6S/c1-30-20-12-10-17(14-19(20)24)26(33(28,29)18-7-5-4-6-8-18)15-23(27)25-16-9-11-21(31-2)22(13-16)32-3/h4-14H,15H2,1-3H3,(H,25,27)
InChIKeyZOUTXAAOKSTWMU-UHFFFAOYSA-N
XLogP4.20
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.97
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide (CID 1108101) is 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide is COc1ccc(N(CC(=O)Nc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccccc2)cc1Cl.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is ZOUTXAAOKSTWMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O6S/c1-30-20-12-10-17(14-19(20)24)26(33(28,29)18-7-5-4-6-8-18)15-23(27)25-16-9-11-21(31-2)22(13-16)32-3/h4-14H,15H2,1-3H3,(H,25,27).
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methoxyanilino]-N-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 490.97 g/mol, XLogP of 4.20, 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-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 1108101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).