4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

C24H25ClN2O5S — CID 984502

IUPAC4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-31-22-11-8-17(14-23(22)32-2)12-13-26-24(28)19-9-6-18(7-10-19)16-27-33(29,30)21-5-3-4-20(25)15-21/h3-11,14-15,27H,12-13,16H2,1-2H3,(H,26,28)
InChIKeyLAAZROWHGBCEAG-UHFFFAOYSA-N
MW488.99 g/mol
LogP3.81
Rot. Bonds10

About 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide

4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (PubChem CID 984502) has the molecular formula C24H25ClN2O5S and a molecular weight of 488.99 g/mol. Its IUPAC name is 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
PubChem CID984502
Molecular FormulaC24H25ClN2O5S
Molecular Weight488.99 g/mol
Exact Mass488.12
IUPAC Name4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)cc1OC
InChIInChI=1S/C24H25ClN2O5S/c1-31-22-11-8-17(14-23(22)32-2)12-13-26-24(28)19-9-6-18(7-10-19)16-27-33(29,30)21-5-3-4-20(25)15-21/h3-11,14-15,27H,12-13,16H2,1-2H3,(H,26,28)
InChIKeyLAAZROWHGBCEAG-UHFFFAOYSA-N
XLogP3.81
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.99
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The IUPAC name of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide (CID 984502) is 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide.
What is the SMILES notation for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The canonical SMILES for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is COc1ccc(CCNC(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)cc1OC.
What is the InChIKey of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
The InChIKey is LAAZROWHGBCEAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O5S/c1-31-22-11-8-17(14-23(22)32-2)12-13-26-24(28)19-9-6-18(7-10-19)16-27-33(29,30)21-5-3-4-20(25)15-21/h3-11,14-15,27H,12-13,16H2,1-2H3,(H,26,28).
What are the key properties of 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide?
4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide has a molecular weight of 488.99 g/mol, XLogP of 3.81, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(3-chlorophenyl)sulfonylamino]methyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 984502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).