N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide

C11H16N2O2S — CID 117353751

IUPACN-(3-pyrrolidin-2-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2CCCN2)c1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13-10-5-2-4-9(8-10)11-6-3-7-12-11/h2,4-5,8,11-13H,3,6-7H2,1H3
InChIKeyRWFBOVALCGNDHV-UHFFFAOYSA-N
MW240.33 g/mol
LogP1.48
Rot. Bonds3

About N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide

N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide (PubChem CID 117353751) has the molecular formula C11H16N2O2S and a molecular weight of 240.33 g/mol. Its IUPAC name is N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-(3-pyrrolidin-2-ylphenyl)methanesulfonamide
PubChem CID117353751
Molecular FormulaC11H16N2O2S
Molecular Weight240.33 g/mol
Exact Mass240.09
IUPAC NameN-(3-pyrrolidin-2-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2CCCN2)c1
InChIInChI=1S/C11H16N2O2S/c1-16(14,15)13-10-5-2-4-9(8-10)11-6-3-7-12-11/h2,4-5,8,11-13H,3,6-7H2,1H3
InChIKeyRWFBOVALCGNDHV-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.33
LogP ≤ 51.48
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-ylphenyl)methanesulfonamide?
The IUPAC name of N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide (CID 117353751) is N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide?
The canonical SMILES for N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide is CS(=O)(=O)Nc1cccc(C2CCCN2)c1.
What is the InChIKey of N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide?
The InChIKey is RWFBOVALCGNDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O2S/c1-16(14,15)13-10-5-2-4-9(8-10)11-6-3-7-12-11/h2,4-5,8,11-13H,3,6-7H2,1H3.
What are the key properties of N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide?
N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide has a molecular weight of 240.33 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-pyrrolidin-2-ylphenyl)methanesulfonamide is sourced from PubChem (CID 117353751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).