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

C23H23ClN2O4S — CID 92674197

IUPAC4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide
SMILESCOc1cccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1
InChIInChI=1S/C23H23ClN2O4S/c1-30-19-9-5-7-17(15-19)8-6-14-25-23(27)18-12-13-22(21(24)16-18)26-31(28,29)20-10-3-2-4-11-20/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3,(H,25,27)
InChIKeyUOXRRKMKWREAOB-UHFFFAOYSA-N
MW458.97 g/mol
LogP4.51
Rot. Bonds9

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

4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide (PubChem CID 92674197) has the molecular formula C23H23ClN2O4S and a molecular weight of 458.97 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide
PubChem CID92674197
Molecular FormulaC23H23ClN2O4S
Molecular Weight458.97 g/mol
Exact Mass458.11
IUPAC Name4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide
SMILESCOc1cccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1
InChIInChI=1S/C23H23ClN2O4S/c1-30-19-9-5-7-17(15-19)8-6-14-25-23(27)18-12-13-22(21(24)16-18)26-31(28,29)20-10-3-2-4-11-20/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3,(H,25,27)
InChIKeyUOXRRKMKWREAOB-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)-3-chloro-N-[3-(3-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

3-chloro-N-[3-(3-methoxyphenyl)propyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909714
4-(benzenesulfonamido)-3-chloro-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 28578090
4-(benzenesulfonamido)-3-chloro-N-(3-methylbutyl)benzamide
CID 99953455
4-(benzenesulfonamido)-3-chloro-N-[2-(2-phenylethylcarbamoyl)phenyl]benzamide
CID 43915504
N-[3-(3-methoxyphenyl)propyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100705004
N-[3-(3-methoxyphenyl)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969119
4-[(2-chlorophenyl)sulfamoyl]-N-[2-(4-methoxyphenyl)ethyl]benzamide
CID 34820303
N-butyl-3-chloro-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 99950233
4-(benzenesulfonamido)-2-chloro-N-[3-(4-methoxyphenyl)propyl]benzamide
CID 46772538
4-ethoxy-N-[3-(3-methoxyphenyl)propyl]benzamide
CID 95172520
3-[(2-chlorophenyl)sulfamoyl]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 32735630
4-(butylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 109058710

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide?
The IUPAC name of 4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide (CID 92674197) is 4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide is COc1cccc(CCCNC(=O)c2ccc(NS(=O)(=O)c3ccccc3)c(Cl)c2)c1.
What is the InChIKey of 4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide?
The InChIKey is UOXRRKMKWREAOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S/c1-30-19-9-5-7-17(15-19)8-6-14-25-23(27)18-12-13-22(21(24)16-18)26-31(28,29)20-10-3-2-4-11-20/h2-5,7,9-13,15-16,26H,6,8,14H2,1H3,(H,25,27).
What are the key properties of 4-(benzenesulfonamido)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide?
4-(benzenesulfonamido)-3-chloro-N-[3-(3-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)-3-chloro-N-[3-(3-methoxyphenyl)propyl]benzamide is sourced from PubChem (CID 92674197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).