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

C13H17N3O2S — CID 62967428

IUPACN-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide
SMILESCN(Cc1cccc(C#N)c1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H17N3O2S/c1-15(19(17,18)16-7-2-3-8-16)11-13-6-4-5-12(9-13)10-14/h4-6,9H,2-3,7-8,11H2,1H3
InChIKeyFCQFCGONKZVCLG-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.33
Rot. Bonds4

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

N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide (PubChem CID 62967428) has the molecular formula C13H17N3O2S and a molecular weight of 279.37 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide
PubChem CID62967428
Molecular FormulaC13H17N3O2S
Molecular Weight279.37 g/mol
Exact Mass279.10
IUPAC NameN-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide
SMILESCN(Cc1cccc(C#N)c1)S(=O)(=O)N1CCCC1
InChIInChI=1S/C13H17N3O2S/c1-15(19(17,18)16-7-2-3-8-16)11-13-6-4-5-12(9-13)10-14/h4-6,9H,2-3,7-8,11H2,1H3
InChIKeyFCQFCGONKZVCLG-UHFFFAOYSA-N
XLogP1.33
TPSA64.41 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-cyanophenyl)methyl]-1-cyclopropyl-N-methylmethanesulfonamide
CID 64987558
N-[(3-cyanophenyl)methyl]pyrrolidine-1-sulfonamide
CID 55062176
1-cyano-3-[[cyclopropylsulfamoyl(methyl)amino]methyl]benzene
CID 113424588
N-[(3-cyanophenyl)methyl]-N-methylazepane-1-carboxamide
CID 79152015
N-[(3-cyanophenyl)methyl]-2-methoxy-N-methylethanesulfonamide
CID 55153232
4-chloro-N-[(3-cyanophenyl)methyl]-N-methylbutane-1-sulfonamide
CID 116815295
methyl N-[(3-cyanophenyl)methyl-methylsulfamoyl]carbamate
CID 115874261
N-[(3-cyanophenyl)methyl]-N,1,2-trimethylimidazole-4-sulfonamide
CID 62960505
N-[(3-cyanophenyl)methyl]-1-ethyl-N-methylimidazole-4-sulfonamide
CID 79369438
N-[(3-cyanophenyl)methyl]-N-methyl-1H-pyrazole-4-sulfonamide
CID 47268104
N-(4-cyanophenyl)-N-methylpyrrolidine-1-sulfonamide
CID 55142534
2-amino-1-[(3-cyanophenyl)methyl]-1-methylguanidine
CID 77058539

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide (CID 62967428) is N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide is CN(Cc1cccc(C#N)c1)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide?
The InChIKey is FCQFCGONKZVCLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-15(19(17,18)16-7-2-3-8-16)11-13-6-4-5-12(9-13)10-14/h4-6,9H,2-3,7-8,11H2,1H3.
What are the key properties of N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide?
N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide has a molecular weight of 279.37 g/mol, XLogP of 1.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-N-methylpyrrolidine-1-sulfonamide is sourced from PubChem (CID 62967428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).