3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide

C23H30ClN3O3S — CID 55725020

IUPAC3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
SMILESCC1CCCCN1CCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C23H30ClN3O3S/c1-18-8-2-4-14-27(18)15-5-3-13-25-23(28)19-9-6-12-22(16-19)31(29,30)26-21-11-7-10-20(24)17-21/h6-7,9-12,16-18,26H,2-5,8,13-15H2,1H3,(H,25,28)
InChIKeyXUTFOOGHXPOIGR-UHFFFAOYSA-N
MW464.03 g/mol
LogP4.53
Rot. Bonds9

About 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide

3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide (PubChem CID 55725020) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide.

Molecular Properties

Compound Name3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
PubChem CID55725020
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
SMILESCC1CCCCN1CCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1
InChIInChI=1S/C23H30ClN3O3S/c1-18-8-2-4-14-27(18)15-5-3-13-25-23(28)19-9-6-12-22(16-19)31(29,30)26-21-11-7-10-20(24)17-21/h6-7,9-12,16-18,26H,2-5,8,13-15H2,1H3,(H,25,28)
InChIKeyXUTFOOGHXPOIGR-UHFFFAOYSA-N
XLogP4.53
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.03
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]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-(methanesulfonamido)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 51221498
N-[4-(2-methylpiperidin-1-yl)butyl]-3-(prop-2-enylsulfamoyl)benzamide
CID 55717526
N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 60668475
methyl 3-[4-(2-methylpiperidin-1-yl)butylcarbamoyl]benzoate
CID 60516453
4-chloro-N-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-(methylsulfamoyl)benzamide
CID 9473011
3,4-dichloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473209
3-[(3-chlorophenyl)sulfamoyl]-N-[3-(2-methylpropoxy)propyl]benzamide
CID 24560167
2-chloro-N-[2-[[3-[(3-chlorophenyl)sulfamoyl]benzoyl]amino]ethyl]benzamide
CID 55659484
4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 84975147
3-[(3-chlorophenyl)sulfamoyl]-N-cyclohexylbenzamide
CID 9043246
3-[(3-chlorophenyl)sulfamoyl]-N-(3-imidazol-1-ylpropyl)benzamide
CID 35513232
tert-butyl N-[3-[3-[(2S)-2-methylpiperidin-1-yl]propylcarbamoyl]phenyl]carbamate
CID 9473842

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide?
The IUPAC name of 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide (CID 55725020) is 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide.
What is the SMILES notation for 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide?
The canonical SMILES for 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide is CC1CCCCN1CCCCNC(=O)c1cccc(S(=O)(=O)Nc2cccc(Cl)c2)c1.
What is the InChIKey of 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide?
The InChIKey is XUTFOOGHXPOIGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-18-8-2-4-14-27(18)15-5-3-13-25-23(28)19-9-6-12-22(16-19)31(29,30)26-21-11-7-10-20(24)17-21/h6-7,9-12,16-18,26H,2-5,8,13-15H2,1H3,(H,25,28).
What are the key properties of 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide?
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide has a molecular weight of 464.03 g/mol, XLogP of 4.53, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide is sourced from PubChem (CID 55725020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).