2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

C17H26ClN3O3S — CID 120714185

IUPAC2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)cc1C(N)=O.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-12-4-5-14(11-15(12)17(18)21)24(22,23)20-9-6-13(7-10-20)16-3-2-8-19-16;/h4-5,11,13,16,19H,2-3,6-10H2,1H3,(H2,18,21);1H
InChIKeyXJYDTQFTPKYGET-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.67
Rot. Bonds4

About 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride

2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (PubChem CID 120714185) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
PubChem CID120714185
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
SMILESCc1ccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)cc1C(N)=O.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-12-4-5-14(11-15(12)17(18)21)24(22,23)20-9-6-13(7-10-20)16-3-2-8-19-16;/h4-5,11,13,16,19H,2-3,6-10H2,1H3,(H2,18,21);1H
InChIKeyXJYDTQFTPKYGET-UHFFFAOYSA-N
XLogP1.67
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;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-methyl-5-[4-(methylamino)piperidin-1-yl]sulfonylbenzamide;hydrochloride
CID 119980179
1-(3-carbamoyl-4-methylphenyl)sulfonylpiperidine-4-carboxylic acid
CID 131963351
1-(3-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714337
1-(3,4-dichlorophenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine
CID 120714288
5-(4-acetylpiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 46406583
5-[4-(cyclopropylmethylamino)piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 119987776
5-[4-[(4-fluorobenzoyl)amino]piperidin-1-yl]sulfonyl-2-methylbenzamide
CID 34100373
6-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylchromen-2-one
CID 120714302
1-[4-(2-methoxyethoxy)phenyl]sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714348
5-(3,5-dimethylpiperidin-1-yl)sulfonyl-2-methylbenzamide
CID 46406612
2-methyl-5-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 1216990
1-(2-bromo-4-methylphenyl)sulfonyl-4-pyrrolidin-2-ylpiperidine;hydrochloride
CID 120714383

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The IUPAC name of 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride (CID 120714185) is 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride.
What is the SMILES notation for 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The canonical SMILES for 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is Cc1ccc(S(=O)(=O)N2CCC(C3CCCN3)CC2)cc1C(N)=O.Cl.
What is the InChIKey of 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
The InChIKey is XJYDTQFTPKYGET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-12-4-5-14(11-15(12)17(18)21)24(22,23)20-9-6-13(7-10-20)16-3-2-8-19-16;/h4-5,11,13,16,19H,2-3,6-10H2,1H3,(H2,18,21);1H.
What are the key properties of 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride?
2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylbenzamide;hydrochloride is sourced from PubChem (CID 120714185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).