2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

C15H24ClN3O3S — CID 119510091

IUPAC2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-2-10-22(20,21)18-14-8-4-3-7-13(14)15(19)17-11-12-6-5-9-16-12;/h3-4,7-8,12,16,18H,2,5-6,9-11H2,1H3,(H,17,19);1H
InChIKeyKFABXQVTCABVPT-UHFFFAOYSA-N
MW361.90 g/mol
LogP1.74
Rot. Bonds7

About 2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride

2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119510091) has the molecular formula C15H24ClN3O3S and a molecular weight of 361.90 g/mol. Its IUPAC name is 2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119510091
Molecular FormulaC15H24ClN3O3S
Molecular Weight361.90 g/mol
Exact Mass361.12
IUPAC Name2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCCS(=O)(=O)Nc1ccccc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C15H23N3O3S.ClH/c1-2-10-22(20,21)18-14-8-4-3-7-13(14)15(19)17-11-12-6-5-9-16-12;/h3-4,7-8,12,16,18H,2,5-6,9-11H2,1H3,(H,17,19);1H
InChIKeyKFABXQVTCABVPT-UHFFFAOYSA-N
XLogP1.74
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.90
LogP ≤ 51.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513205
2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119513194
2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 75294143
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
N-(2-phenylethyl)-2-(propylsulfonylamino)benzamide
CID 2448345
N-[(2R)-2-(ethylamino)propyl]-2-(propylsulfonylamino)benzamide;hydrochloride
CID 120650844
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
N-(2-amino-2-ethylbutyl)-2-(propylsulfonylamino)benzamide
CID 119639934
2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
CID 119510423
2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271
N-(2-amino-1-cyclohexylethyl)-2-(propylsulfonylamino)benzamide
CID 119589172

Frequently Asked Questions

What is the IUPAC name of 2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119510091) is 2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is CCCS(=O)(=O)Nc1ccccc1C(=O)NCC1CCCN1.Cl.
What is the InChIKey of 2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is KFABXQVTCABVPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O3S.ClH/c1-2-10-22(20,21)18-14-8-4-3-7-13(14)15(19)17-11-12-6-5-9-16-12;/h3-4,7-8,12,16,18H,2,5-6,9-11H2,1H3,(H,17,19);1H.
What are the key properties of 2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 361.90 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119510091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).