4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide

C23H24N2O3S — CID 2231369

IUPAC4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-2-3-7-18-10-14-20(15-11-18)24-23(26)19-12-16-21(17-13-19)25-29(27,28)22-8-5-4-6-9-22/h4-6,8-17,25H,2-3,7H2,1H3,(H,24,26)
InChIKeyOSDJISAMPWIARD-UHFFFAOYSA-N
MW408.52 g/mol
LogP5.08
Rot. Bonds8

About 4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide

4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide (PubChem CID 2231369) has the molecular formula C23H24N2O3S and a molecular weight of 408.52 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
PubChem CID2231369
Molecular FormulaC23H24N2O3S
Molecular Weight408.52 g/mol
Exact Mass408.15
IUPAC Name4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide
SMILESCCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C23H24N2O3S/c1-2-3-7-18-10-14-20(15-11-18)24-23(26)19-12-16-21(17-13-19)25-29(27,28)22-8-5-4-6-9-22/h4-6,8-17,25H,2-3,7H2,1H3,(H,24,26)
InChIKeyOSDJISAMPWIARD-UHFFFAOYSA-N
XLogP5.08
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.52
LogP ≤ 55.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-(benzenesulfonamidocarbamoyl)phenyl]-4-pentylbenzenesulfonamide
CID 10289140
N-[4-[(4-butylphenyl)sulfonylamino]phenyl]acetamide
CID 22774827
N-(4-butylphenyl)-4-(trifluoromethylsulfonylamino)benzamide
CID 20630469
4-(benzenesulfonamido)-N-[4-[(2-methylphenyl)sulfamoyl]phenyl]benzamide
CID 17052595
N-[4-(benzenesulfonamido)phenyl]-4-(tert-butylsulfonylamino)benzamide
CID 20630386
N-(4-pentanoylphenyl)benzenesulfonamide
CID 4248853
N-[4-(diethylamino)phenyl]-4-(phenylsulfamoyl)benzamide
CID 27229305
3-[(4-butylphenyl)sulfamoyl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 27258622
3-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68688780
N-(4-butylphenyl)-4-pyrrolidin-1-ylsulfonylbenzamide
CID 8961050
2-[2-[4-[(4-butylphenyl)sulfonylamino]phenyl]ethyl]benzoic acid
CID 68690589
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide (CID 2231369) is 4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide is CCCCc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide?
The InChIKey is OSDJISAMPWIARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S/c1-2-3-7-18-10-14-20(15-11-18)24-23(26)19-12-16-21(17-13-19)25-29(27,28)22-8-5-4-6-9-22/h4-6,8-17,25H,2-3,7H2,1H3,(H,24,26).
What are the key properties of 4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide?
4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide has a molecular weight of 408.52 g/mol, XLogP of 5.08, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(4-butylphenyl)benzamide is sourced from PubChem (CID 2231369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).