2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

C20H26ClN3O3S — CID 120557218

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-7-9-16(10-8-14)27(25,26)23-19-6-4-3-5-17(19)20(24)22-18-11-12-21-13-15(18)2;/h3-10,15,18,21,23H,11-13H2,1-2H3,(H,22,24);1H
InChIKeyMGWKXSGLKNGAKR-UHFFFAOYSA-N
MW423.97 g/mol
LogP2.95
Rot. Bonds5

About 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride

2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (PubChem CID 120557218) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
PubChem CID120557218
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCNCC2C)cc1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-14-7-9-16(10-8-14)27(25,26)23-19-6-4-3-5-17(19)20(24)22-18-11-12-21-13-15(18)2;/h3-10,15,18,21,23H,11-13H2,1-2H3,(H,22,24);1H
InChIKeyMGWKXSGLKNGAKR-UHFFFAOYSA-N
XLogP2.95
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride 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-(4-methylbenzoyl)-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120553364
N-(3-methylpiperidin-4-yl)-4-(phenylsulfamoyl)benzamide;hydrochloride
CID 120556844
2-methyl-N-[(3R,4R)-3-methylpiperidin-4-yl]benzamide
CID 124516930
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 7349405
N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-[(4-methylphenyl)sulfonylamino]benzamide
CID 11899053
2-[(4-methylphenyl)sulfonylamino]-N-(2-pyrrolidin-3-ylethyl)benzamide
CID 119536326
2-benzamido-N-(3-methylpiperidin-4-yl)benzamide
CID 120557141
3-[(2-fluorophenyl)sulfamoyl]-N-(3-methylpiperidin-4-yl)benzamide
CID 120554339
5-(ethylsulfamoyl)-2-methyl-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride
CID 120554570
2-fluoro-3-methyl-N-(3-methylpiperidin-4-yl)benzamide
CID 81480777
2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 75294143
2-methyl-N-(3-methylpiperidin-4-yl)-3-nitrobenzamide;hydrochloride
CID 120556204

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride (CID 120557218) is 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCNCC2C)cc1.Cl.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
The InChIKey is MGWKXSGLKNGAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-14-7-9-16(10-8-14)27(25,26)23-19-6-4-3-5-17(19)20(24)22-18-11-12-21-13-15(18)2;/h3-10,15,18,21,23H,11-13H2,1-2H3,(H,22,24);1H.
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride?
2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.95, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-(3-methylpiperidin-4-yl)benzamide;hydrochloride is sourced from PubChem (CID 120557218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).