N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide

C12H15N3O2S — CID 55062176

IUPACN-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide
SMILESN#Cc1cccc(CNS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H15N3O2S/c13-9-11-4-3-5-12(8-11)10-14-18(16,17)15-6-1-2-7-15/h3-5,8,14H,1-2,6-7,10H2
InChIKeyXWLHXFCDYKSHSU-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.99
Rot. Bonds4

About N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide

N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide (PubChem CID 55062176) has the molecular formula C12H15N3O2S and a molecular weight of 265.34 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide
PubChem CID55062176
Molecular FormulaC12H15N3O2S
Molecular Weight265.34 g/mol
Exact Mass265.09
IUPAC NameN-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide
SMILESN#Cc1cccc(CNS(=O)(=O)N2CCCC2)c1
InChIInChI=1S/C12H15N3O2S/c13-9-11-4-3-5-12(8-11)10-14-18(16,17)15-6-1-2-7-15/h3-5,8,14H,1-2,6-7,10H2
InChIKeyXWLHXFCDYKSHSU-UHFFFAOYSA-N
XLogP0.99
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-2-methylpiperidine-1-sulfonamide
CID 47405516
N-[[3-(hydroxymethyl)phenyl]methyl]pyrrolidine-1-sulfonamide
CID 55206379
N-[(3-chlorophenyl)methyl]pyrrolidine-1-sulfonamide
CID 127505072
N-[(3-aminophenyl)methyl]azepane-1-sulfonamide
CID 43593573
N-[[3-(chloromethyl)phenyl]methyl]azepane-1-sulfonamide
CID 65032852
2-[(3-cyanophenyl)methylsulfamoyl]propanoic acid
CID 54947596
3-[(pyrrolidin-1-ylsulfonylamino)methyl]benzenecarbothioamide
CID 55062659
N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide
CID 62967428
3-[(3-piperidin-1-ylpropylamino)methyl]benzonitrile
CID 28657390
N-[(3-cyanophenyl)methyl]-2-methoxyethanesulfonamide
CID 55062177
N-[(3-cyanophenyl)methyl]-3-hydroxybenzenesulfonamide
CID 81258729
3-[[3-(hydroxymethyl)piperidin-1-yl]sulfonylmethyl]benzonitrile
CID 43589681

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide (CID 55062176) is N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide is N#Cc1cccc(CNS(=O)(=O)N2CCCC2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide?
The InChIKey is XWLHXFCDYKSHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S/c13-9-11-4-3-5-12(8-11)10-14-18(16,17)15-6-1-2-7-15/h3-5,8,14H,1-2,6-7,10H2.
What are the key properties of N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide?
N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide has a molecular weight of 265.34 g/mol, XLogP of 0.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide is sourced from PubChem (CID 55062176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).