4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide

C23H23ClN2O4S — CID 46772538

IUPAC4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-30-19-12-9-17(10-13-19)6-5-15-25-23(27)21-14-11-18(16-22(21)24)26-31(28,29)20-7-3-2-4-8-20/h2-4,7-14,16,26H,5-6,15H2,1H3,(H,25,27)
InChIKeyJLOLMFLLMJRXMX-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.51
Rot. Bonds9

About 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide

4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide (PubChem CID 46772538) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide
PubChem CID46772538
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide
SMILESCOc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1
InChIInChI=1S/C23H23ClN2O4S/c1-30-19-12-9-17(10-13-19)6-5-15-25-23(27)21-14-11-18(16-22(21)24)26-31(28,29)20-7-3-2-4-8-20/h2-4,7-14,16,26H,5-6,15H2,1H3,(H,25,27)
InChIKeyJLOLMFLLMJRXMX-UHFFFAOYSA-N
XLogP4.51
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.97
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(benzenesulfonamido)-2-chloro-N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]benzamide
CID 92679565
4-(benzenesulfonamido)-2-chloro-N-[(4-fluorophenyl)methyl]benzamide
CID 99956396
4-(benzenesulfonamido)-2-chloro-N-[4-[(2,4-dimethoxyphenyl)sulfamoyl]phenyl]benzamide
CID 43885917
4-(benzenesulfonamido)-2-chloro-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 93486708
3-[(4-methoxyphenyl)sulfamoyl]-N-(2-phenylethyl)benzamide
CID 18108709
N-[3-[benzyl(methyl)amino]propyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55455309
4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 92674197
4-(benzenesulfonamido)-2-chloro-N-[2-[(2-chlorophenyl)methylsulfanyl]ethyl]benzamide
CID 46762901
N-[2-(benzenesulfonyl)ethyl]-5-[(4-methoxyphenyl)sulfamoyl]-2-methylbenzamide
CID 55844976
5-(benzenesulfonamido)-2-chloro-N-[2-[2-(3,4-dimethoxyphenyl)ethylcarbamoyl]phenyl]benzamide
CID 99954563
2-fluoro-4-methoxy-N-(3-phenylpropyl)benzamide
CID 17408402
4-(benzenesulfonamido)-2-chloro-N-(4-methylphenyl)benzamide
CID 43910172

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide (CID 46772538) is 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide is COc1ccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2Cl)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide?
The InChIKey is JLOLMFLLMJRXMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-30-19-12-9-17(10-13-19)6-5-15-25-23(27)21-14-11-18(16-22(21)24)26-31(28,29)20-7-3-2-4-8-20/h2-4,7-14,16,26H,5-6,15H2,1H3,(H,25,27).
What are the key properties of 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide?
4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide has a molecular weight of 458.97 g/mol, XLogP of 4.51, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 46772538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).