5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide

C24H25BrN2O6S — CID 46099797

IUPAC5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cc(Br)ccc2NS(=O)(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H25BrN2O6S/c1-31-18-7-4-16(5-8-18)12-13-26-24(28)20-14-17(25)6-10-21(20)27-34(29,30)23-11-9-19(32-2)15-22(23)33-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28)
InChIKeyLERWVJQSSDKSJI-UHFFFAOYSA-N
MW549.44 g/mol
LogP4.25
Rot. Bonds10

About 5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide

5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 46099797) has the molecular formula C24H25BrN2O6S and a molecular weight of 549.44 g/mol. Its IUPAC name is 5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
PubChem CID46099797
Molecular FormulaC24H25BrN2O6S
Molecular Weight549.44 g/mol
Exact Mass548.06
IUPAC Name5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2cc(Br)ccc2NS(=O)(=O)c2ccc(OC)cc2OC)cc1
InChIInChI=1S/C24H25BrN2O6S/c1-31-18-7-4-16(5-8-18)12-13-26-24(28)20-14-17(25)6-10-21(20)27-34(29,30)23-11-9-19(32-2)15-22(23)33-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28)
InChIKeyLERWVJQSSDKSJI-UHFFFAOYSA-N
XLogP4.25
TPSA102.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500549.44
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of 5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide (CID 46099797) is 5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for 5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2cc(Br)ccc2NS(=O)(=O)c2ccc(OC)cc2OC)cc1.
What is the InChIKey of 5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is LERWVJQSSDKSJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25BrN2O6S/c1-31-18-7-4-16(5-8-18)12-13-26-24(28)20-14-17(25)6-10-21(20)27-34(29,30)23-11-9-19(32-2)15-22(23)33-3/h4-11,14-15,27H,12-13H2,1-3H3,(H,26,28).
What are the key properties of 5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide?
5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 549.44 g/mol, XLogP of 4.25, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2,4-dimethoxyphenyl)sulfonylamino]-N-[2-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 46099797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).