2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride

C13H21ClN2O2S — CID 119974202

IUPAC2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CCc1ccccc1)NCC1CCCN1
InChIInChI=1S/C13H20N2O2S.ClH/c16-18(17,15-11-13-7-4-9-14-13)10-8-12-5-2-1-3-6-12;/h1-3,5-6,13-15H,4,7-11H2;1H
InChIKeyMYNIESMEDMNUKI-UHFFFAOYSA-N
MW304.84 g/mol
LogP1.32
Rot. Bonds6

About 2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride

2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride (PubChem CID 119974202) has the molecular formula C13H21ClN2O2S and a molecular weight of 304.84 g/mol. Its IUPAC name is 2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
PubChem CID119974202
Molecular FormulaC13H21ClN2O2S
Molecular Weight304.84 g/mol
Exact Mass304.10
IUPAC Name2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(CCc1ccccc1)NCC1CCCN1
InChIInChI=1S/C13H20N2O2S.ClH/c16-18(17,15-11-13-7-4-9-14-13)10-8-12-5-2-1-3-6-12;/h1-3,5-6,13-15H,4,7-11H2;1H
InChIKeyMYNIESMEDMNUKI-UHFFFAOYSA-N
XLogP1.32
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.84
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(3-chlorophenyl)-N-[[(2R)-pyrrolidin-2-yl]methyl]methanesulfonamide
CID 122557133
2-phenyl-N-(pyrrolidin-2-ylmethyl)propane-1-sulfonamide
CID 80686709
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N-[(4-chlorocyclohexyl)methyl]-2-phenylethanesulfonamide
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N-[(4-methylpiperidin-3-yl)methyl]-2-phenylethanesulfonamide
CID 114955845
N-[(3-aminocyclopentyl)methyl]-2-phenylethanesulfonamide
CID 106125625
N-[[(2R)-piperidin-2-yl]methyl]-1-pyridin-3-ylmethanesulfonamide
CID 97165898
1-cyclohexyl-N-(pyrrolidin-2-ylmethyl)methanesulfonamide;hydrochloride
CID 119974331
N-(piperidin-2-ylmethyl)-1-pyridin-4-ylmethanesulfonamide;hydrochloride
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CID 121497367

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride?
The IUPAC name of 2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride (CID 119974202) is 2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride.
What is the SMILES notation for 2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride?
The canonical SMILES for 2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride is Cl.O=S(=O)(CCc1ccccc1)NCC1CCCN1.
What is the InChIKey of 2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride?
The InChIKey is MYNIESMEDMNUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S.ClH/c16-18(17,15-11-13-7-4-9-14-13)10-8-12-5-2-1-3-6-12;/h1-3,5-6,13-15H,4,7-11H2;1H.
What are the key properties of 2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride?
2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride has a molecular weight of 304.84 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(pyrrolidin-2-ylmethyl)ethanesulfonamide;hydrochloride is sourced from PubChem (CID 119974202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).