N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide

C14H20N2O2S — CID 76994786

IUPACN-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-2-16(14-8-10-15-12-14)19(17,18)11-9-13-6-4-3-5-7-13/h3-7,9,11,14-15H,2,8,10,12H2,1H3
InChIKeyDOEISCWGRYTRCY-UHFFFAOYSA-N
MW280.39 g/mol
LogP1.67
Rot. Bonds5

About N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide

N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide (PubChem CID 76994786) has the molecular formula C14H20N2O2S and a molecular weight of 280.39 g/mol. Its IUPAC name is N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide.

Molecular Properties

Compound NameN-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide
PubChem CID76994786
Molecular FormulaC14H20N2O2S
Molecular Weight280.39 g/mol
Exact Mass280.12
IUPAC NameN-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)C=Cc1ccccc1
InChIInChI=1S/C14H20N2O2S/c1-2-16(14-8-10-15-12-14)19(17,18)11-9-13-6-4-3-5-7-13/h3-7,9,11,14-15H,2,8,10,12H2,1H3
InChIKeyDOEISCWGRYTRCY-UHFFFAOYSA-N
XLogP1.67
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.39
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide?
The IUPAC name of N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide (CID 76994786) is N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide.
What is the SMILES notation for N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide?
The canonical SMILES for N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide is CCN(C1CCNC1)S(=O)(=O)C=Cc1ccccc1.
What is the InChIKey of N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide?
The InChIKey is DOEISCWGRYTRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2S/c1-2-16(14-8-10-15-12-14)19(17,18)11-9-13-6-4-3-5-7-13/h3-7,9,11,14-15H,2,8,10,12H2,1H3.
What are the key properties of N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide?
N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide has a molecular weight of 280.39 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide is sourced from PubChem (CID 76994786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).