N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride

C20H26ClN3O3S — CID 154899456

IUPACN-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride
SMILESCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-15-6-2-3-7-17(15)13-22-20(24)16-8-4-10-19(12-16)27(25,26)23-14-18-9-5-11-21-18;/h2-4,6-8,10,12,18,21,23H,5,9,11,13-14H2,1H3,(H,22,24);1H/t18-;/m0./s1
InChIKeyWMEYUDBMQARKEL-FERBBOLQSA-N
MW423.97 g/mol
LogP2.38
Rot. Bonds7

About N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride

N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride (PubChem CID 154899456) has the molecular formula C20H26ClN3O3S and a molecular weight of 423.97 g/mol. Its IUPAC name is N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride.

Molecular Properties

Compound NameN-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride
PubChem CID154899456
Molecular FormulaC20H26ClN3O3S
Molecular Weight423.97 g/mol
Exact Mass423.14
IUPAC NameN-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride
SMILESCc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN2)c1.Cl
InChIInChI=1S/C20H25N3O3S.ClH/c1-15-6-2-3-7-17(15)13-22-20(24)16-8-4-10-19(12-16)27(25,26)23-14-18-9-5-11-21-18;/h2-4,6-8,10,12,18,21,23H,5,9,11,13-14H2,1H3,(H,22,24);1H/t18-;/m0./s1
InChIKeyWMEYUDBMQARKEL-FERBBOLQSA-N
XLogP2.38
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.97
LogP ≤ 52.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]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

3-(cyclopentylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063155
3-propanoyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide
CID 119974575
methyl 3-(pyrrolidin-2-ylmethylsulfamoyl)benzoate
CID 62540597
3-(propan-2-ylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513593
3-methyl-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974293
3-[2-(dimethylamino)ethylsulfamoyl]-N-[(2-methylphenyl)methyl]benzamide
CID 109063969
2-(2-methylphenyl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119260437
3-(3-methoxypropylsulfamoyl)-N-[(2-methylphenyl)methyl]benzamide
CID 109063719
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
3-(cyclopentylsulfamoyl)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119509919
3-fluoro-N-(pyrrolidin-2-ylmethyl)benzenesulfonamide;hydrochloride
CID 119974220
N-[(2,4-dimethylphenyl)methyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 75871785

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride?
The IUPAC name of N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride (CID 154899456) is N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride.
What is the SMILES notation for N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride?
The canonical SMILES for N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride is Cc1ccccc1CNC(=O)c1cccc(S(=O)(=O)NC[C@@H]2CCCN2)c1.Cl.
What is the InChIKey of N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride?
The InChIKey is WMEYUDBMQARKEL-FERBBOLQSA-N. The full InChI is InChI=1S/C20H25N3O3S.ClH/c1-15-6-2-3-7-17(15)13-22-20(24)16-8-4-10-19(12-16)27(25,26)23-14-18-9-5-11-21-18;/h2-4,6-8,10,12,18,21,23H,5,9,11,13-14H2,1H3,(H,22,24);1H/t18-;/m0./s1.
What are the key properties of N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride?
N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride has a molecular weight of 423.97 g/mol, XLogP of 2.38, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylphenyl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methylsulfamoyl]benzamide;hydrochloride is sourced from PubChem (CID 154899456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).