N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide

C24H25ClN2O4S — CID 3995108

IUPACN-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-3-4-6-17-9-11-20(12-10-17)27-32(29,30)21-13-14-23(31-2)22(16-21)26-24(28)18-7-5-8-19(25)15-18/h5,7-16,27H,3-4,6H2,1-2H3,(H,26,28)
InChIKeyXTHVKQOAMTVWNJ-UHFFFAOYSA-N
MW472.99 g/mol
LogP5.74
Rot. Bonds9

About N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide

N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide (PubChem CID 3995108) has the molecular formula C24H25ClN2O4S and a molecular weight of 472.99 g/mol. Its IUPAC name is N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide.

Molecular Properties

Compound NameN-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide
PubChem CID3995108
Molecular FormulaC24H25ClN2O4S
Molecular Weight472.99 g/mol
Exact Mass472.12
IUPAC NameN-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide
SMILESCCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)cc1
InChIInChI=1S/C24H25ClN2O4S/c1-3-4-6-17-9-11-20(12-10-17)27-32(29,30)21-13-14-23(31-2)22(16-21)26-24(28)18-7-5-8-19(25)15-18/h5,7-16,27H,3-4,6H2,1-2H3,(H,26,28)
InChIKeyXTHVKQOAMTVWNJ-UHFFFAOYSA-N
XLogP5.74
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.99
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[2-methoxy-5-(phenylsulfamoyl)phenyl]benzamide
CID 4646574
N-[5-(butylsulfamoyl)-2-methoxyphenyl]-3-chlorobenzamide
CID 4983601
3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 27258622
N-(4-butylphenyl)-3-iodo-4-methoxybenzenesulfonamide
CID 2975745
N-(5-chloro-2-methoxyphenyl)-3-(ethylsulfamoyl)benzamide
CID 26582371
N-(2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 95254693
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]-N-(2-ethylphenyl)benzamide
CID 46540697
N-(3-chloro-4-methoxyphenyl)-3-[(5-chloro-2-methoxyphenyl)sulfamoyl]benzamide
CID 27256046
N-(4-chloro-2,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26620643
N-(2,5-dimethoxyphenyl)-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 94788763
N-(3-acetamido-4-methoxyphenyl)-4-butylbenzamide
CID 24666778
3-(benzenesulfonamido)-N-[2-methoxy-5-(propan-2-ylsulfamoyl)phenyl]benzamide
CID 43910095

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide?
The IUPAC name of N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide (CID 3995108) is N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide.
What is the SMILES notation for N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide?
The canonical SMILES for N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide is CCCCc1ccc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3cccc(Cl)c3)c2)cc1.
What is the InChIKey of N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide?
The InChIKey is XTHVKQOAMTVWNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN2O4S/c1-3-4-6-17-9-11-20(12-10-17)27-32(29,30)21-13-14-23(31-2)22(16-21)26-24(28)18-7-5-8-19(25)15-18/h5,7-16,27H,3-4,6H2,1-2H3,(H,26,28).
What are the key properties of N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide?
N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide has a molecular weight of 472.99 g/mol, XLogP of 5.74, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-butylphenyl)sulfamoyl]-2-methoxyphenyl]-3-chlorobenzamide is sourced from PubChem (CID 3995108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).