N-phenyl-2-pyrrolidin-3-ylethanesulfonamide

C12H18N2O2S — CID 115047411

IUPACN-phenyl-2-pyrrolidin-3-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCNC1)Nc1ccccc1
InChIInChI=1S/C12H18N2O2S/c15-17(16,9-7-11-6-8-13-10-11)14-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2
InChIKeyZTTFVPGMXRYOHP-UHFFFAOYSA-N
MW254.35 g/mol
LogP1.43
Rot. Bonds5

About N-phenyl-2-pyrrolidin-3-ylethanesulfonamide

N-phenyl-2-pyrrolidin-3-ylethanesulfonamide (PubChem CID 115047411) has the molecular formula C12H18N2O2S and a molecular weight of 254.35 g/mol. Its IUPAC name is N-phenyl-2-pyrrolidin-3-ylethanesulfonamide.

Molecular Properties

Compound NameN-phenyl-2-pyrrolidin-3-ylethanesulfonamide
PubChem CID115047411
Molecular FormulaC12H18N2O2S
Molecular Weight254.35 g/mol
Exact Mass254.11
IUPAC NameN-phenyl-2-pyrrolidin-3-ylethanesulfonamide
SMILESO=S(=O)(CCC1CCNC1)Nc1ccccc1
InChIInChI=1S/C12H18N2O2S/c15-17(16,9-7-11-6-8-13-10-11)14-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2
InChIKeyZTTFVPGMXRYOHP-UHFFFAOYSA-N
XLogP1.43
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.35
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-fluorophenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892291
N-(4-methylphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892098
1-(azetidin-3-yl)-N-phenylmethanesulfonamide
CID 115035680
N-methyl-2-pyrrolidin-3-ylethanesulfonamide
CID 115019215
N-benzyl-2-piperidin-4-ylethanesulfonamide
CID 60890567
N-phenylpyrrolidine-3-sulfonamide
CID 65422205
N-[2-(2-pyrrolidin-3-ylethylsulfamoyl)ethyl]benzenesulfonamide
CID 119977448
4-(butylsulfonylamino)-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119977075
N-(pyrrolidin-3-ylmethyl)aniline
CID 12889914
N-(3-fluoro-4-methoxyphenyl)-2-piperidin-4-ylethanesulfonamide
CID 60892692
2-(azetidin-2-yl)-N-(4-hydroxyphenyl)ethanesulfonamide
CID 115071321
3-phenyl-1-(2-pyrrolidin-3-ylethyl)pyrrolidine-2,5-dione
CID 63622899

Frequently Asked Questions

What is the IUPAC name of N-phenyl-2-pyrrolidin-3-ylethanesulfonamide?
The IUPAC name of N-phenyl-2-pyrrolidin-3-ylethanesulfonamide (CID 115047411) is N-phenyl-2-pyrrolidin-3-ylethanesulfonamide.
What is the SMILES notation for N-phenyl-2-pyrrolidin-3-ylethanesulfonamide?
The canonical SMILES for N-phenyl-2-pyrrolidin-3-ylethanesulfonamide is O=S(=O)(CCC1CCNC1)Nc1ccccc1.
What is the InChIKey of N-phenyl-2-pyrrolidin-3-ylethanesulfonamide?
The InChIKey is ZTTFVPGMXRYOHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2S/c15-17(16,9-7-11-6-8-13-10-11)14-12-4-2-1-3-5-12/h1-5,11,13-14H,6-10H2.
What are the key properties of N-phenyl-2-pyrrolidin-3-ylethanesulfonamide?
N-phenyl-2-pyrrolidin-3-ylethanesulfonamide has a molecular weight of 254.35 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-2-pyrrolidin-3-ylethanesulfonamide is sourced from PubChem (CID 115047411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).