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

C14H21ClN2O3S — CID 119513194

IUPAC2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-2-20(18,19)13-8-4-3-7-12(13)14(17)16-10-11-6-5-9-15-11;/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H,16,17);1H
InChIKeyQZXIILNJDOKJAW-UHFFFAOYSA-N
MW332.85 g/mol
LogP1.38
Rot. Bonds5

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

2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (PubChem CID 119513194) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is 2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.

Molecular Properties

Compound Name2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
PubChem CID119513194
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC Name2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
SMILESCCS(=O)(=O)c1ccccc1C(=O)NCC1CCCN1.Cl
InChIInChI=1S/C14H20N2O3S.ClH/c1-2-20(18,19)13-8-4-3-7-12(13)14(17)16-10-11-6-5-9-15-11;/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H,16,17);1H
InChIKeyQZXIILNJDOKJAW-UHFFFAOYSA-N
XLogP1.38
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-propylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513205
2-(propylsulfonylamino)-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119510091
2-bromo-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride
CID 119511017
N-[[(2R)-pyrrolidin-2-yl]methyl]-2-(trifluoromethyl)benzamide;hydrochloride
CID 175666321
2-[(4-methylphenyl)sulfonylamino]-N-(pyrrolidin-2-ylmethyl)benzamide
CID 75294143
2-(2-propylsulfonylphenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide;hydrochloride
CID 119511529
2-(2-ethoxyethoxy)-N-(pyrrolidin-2-ylmethyl)benzamide
CID 119513373
2-ethylsulfonyl-N-[2-(methylamino)propyl]benzamide;hydrochloride
CID 120831298
1-hydroxy-N-(piperidin-2-ylmethyl)naphthalene-2-carboxamide
CID 43185174
2-ethyl-N-(2-pyrrolidin-2-ylethyl)benzamide
CID 114793888
2-methoxy-N-(pyrrolidin-2-ylmethyl)pyridine-3-carboxamide
CID 55126271
N-(pyrrolidin-2-ylmethyl)-2-(thiophene-2-carbonyl)benzamide
CID 119513719

Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The IUPAC name of 2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride (CID 119513194) is 2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride.
What is the SMILES notation for 2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The canonical SMILES for 2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is CCS(=O)(=O)c1ccccc1C(=O)NCC1CCCN1.Cl.
What is the InChIKey of 2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
The InChIKey is QZXIILNJDOKJAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S.ClH/c1-2-20(18,19)13-8-4-3-7-12(13)14(17)16-10-11-6-5-9-15-11;/h3-4,7-8,11,15H,2,5-6,9-10H2,1H3,(H,16,17);1H.
What are the key properties of 2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride?
2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride has a molecular weight of 332.85 g/mol, XLogP of 1.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfonyl-N-(pyrrolidin-2-ylmethyl)benzamide;hydrochloride is sourced from PubChem (CID 119513194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).