N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide

C13H20N2O2S — CID 11196451

IUPACN-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(CC2CCCN2)c1
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)15-13-6-3-5-11(10-13)9-12-7-4-8-14-12/h3,5-6,10,12,14-15H,2,4,7-9H2,1H3
InChIKeyZMMLNJYJBNIAME-UHFFFAOYSA-N
MW268.38 g/mol
LogP1.74
Rot. Bonds5

About N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide

N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide (PubChem CID 11196451) has the molecular formula C13H20N2O2S and a molecular weight of 268.38 g/mol. Its IUPAC name is N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide
PubChem CID11196451
Molecular FormulaC13H20N2O2S
Molecular Weight268.38 g/mol
Exact Mass268.12
IUPAC NameN-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cccc(CC2CCCN2)c1
InChIInChI=1S/C13H20N2O2S/c1-2-18(16,17)15-13-6-3-5-11(10-13)9-12-7-4-8-14-12/h3,5-6,10,12,14-15H,2,4,7-9H2,1H3
InChIKeyZMMLNJYJBNIAME-UHFFFAOYSA-N
XLogP1.74
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide (CID 11196451) is N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide is CCS(=O)(=O)Nc1cccc(CC2CCCN2)c1.
What is the InChIKey of N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide?
The InChIKey is ZMMLNJYJBNIAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2S/c1-2-18(16,17)15-13-6-3-5-11(10-13)9-12-7-4-8-14-12/h3,5-6,10,12,14-15H,2,4,7-9H2,1H3.
What are the key properties of N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide?
N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide has a molecular weight of 268.38 g/mol, XLogP of 1.74, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(pyrrolidin-2-ylmethyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 11196451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).