2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide

C23H30ClN3O3S — CID 55723665

IUPAC2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCN3CCCCC3C)c2)cc1C
InChIInChI=1S/C23H30ClN3O3S/c1-16-7-8-19(14-17(16)2)26-31(29,30)20-9-10-22(24)21(15-20)23(28)25-11-13-27-12-5-4-6-18(27)3/h7-10,14-15,18,26H,4-6,11-13H2,1-3H3,(H,25,28)
InChIKeyBZCICUORHQSOFY-UHFFFAOYSA-N
MW464.03 g/mol
LogP4.36
Rot. Bonds7

About 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide

2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide (PubChem CID 55723665) has the molecular formula C23H30ClN3O3S and a molecular weight of 464.03 g/mol. Its IUPAC name is 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
PubChem CID55723665
Molecular FormulaC23H30ClN3O3S
Molecular Weight464.03 g/mol
Exact Mass463.17
IUPAC Name2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCN3CCCCC3C)c2)cc1C
InChIInChI=1S/C23H30ClN3O3S/c1-16-7-8-19(14-17(16)2)26-31(29,30)20-9-10-22(24)21(15-20)23(28)25-11-13-27-12-5-4-6-18(27)3/h7-10,14-15,18,26H,4-6,11-13H2,1-3H3,(H,25,28)
InChIKeyBZCICUORHQSOFY-UHFFFAOYSA-N
XLogP4.36
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.03
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]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

2-chloro-N-[2-(2-methylpiperidin-1-yl)ethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 46387400
2-chloro-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]-5-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 9473189
2-chloro-5-[methoxy(methyl)sulfamoyl]-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473795
4-[(4-methylphenyl)sulfamoyl]-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide
CID 84975147
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(2-methylpiperidin-1-yl)butyl]benzamide
CID 55725020
5-(azepan-1-ylsulfonyl)-2-chloro-N-[4-[(3,4-dimethylphenyl)sulfamoyl]phenyl]benzamide
CID 43882630
5-(diethylsulfamoyl)-2-methyl-N-[3-[(2S)-2-methylpiperidin-1-yl]propyl]benzamide
CID 9473171
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009499
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 26778075
1-[2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]benzoyl]-N-cyclopropylpiperidine-4-carboxamide
CID 55954056
2-chloro-N-[3-[(3S,5R)-3,5-dimethylpiperidin-1-yl]propyl]-5-[(4-methylphenyl)sulfonylamino]benzamide
CID 94027819
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-5-[(3,4-dimethylphenyl)sulfamoyl]benzamide
CID 17497543

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide?
The IUPAC name of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide (CID 55723665) is 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide is Cc1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCN3CCCCC3C)c2)cc1C.
What is the InChIKey of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide?
The InChIKey is BZCICUORHQSOFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30ClN3O3S/c1-16-7-8-19(14-17(16)2)26-31(29,30)20-9-10-22(24)21(15-20)23(28)25-11-13-27-12-5-4-6-18(27)3/h7-10,14-15,18,26H,4-6,11-13H2,1-3H3,(H,25,28).
What are the key properties of 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide?
2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide has a molecular weight of 464.03 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(3,4-dimethylphenyl)sulfamoyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 55723665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).