2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide

C13H17N3O2S — CID 55205910

IUPAC2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H17N3O2S/c1-2-16(12-7-8-15-10-12)19(17,18)13-6-4-3-5-11(13)9-14/h3-6,12,15H,2,7-8,10H2,1H3
InChIKeyWQLRCBZAFHRSFX-UHFFFAOYSA-N
MW279.36 g/mol
LogP0.93
Rot. Bonds4

About 2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide

2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide (PubChem CID 55205910) has the molecular formula C13H17N3O2S and a molecular weight of 279.36 g/mol. Its IUPAC name is 2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
PubChem CID55205910
Molecular FormulaC13H17N3O2S
Molecular Weight279.36 g/mol
Exact Mass279.10
IUPAC Name2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
SMILESCCN(C1CCNC1)S(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C13H17N3O2S/c1-2-16(12-7-8-15-10-12)19(17,18)13-6-4-3-5-11(13)9-14/h3-6,12,15H,2,7-8,10H2,1H3
InChIKeyWQLRCBZAFHRSFX-UHFFFAOYSA-N
XLogP0.93
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.36
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-cyanophenyl)-N-ethyl-N-piperidin-3-ylmethanesulfonamide
CID 63637982
N-ethyl-2-methoxy-N-piperidin-3-ylbenzenesulfonamide
CID 63637635
2-cyano-N-cyclopropyl-N-methylbenzenesulfonamide
CID 43247485
N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60806159
N-ethyl-N-pyrrolidin-3-ylthiophene-2-sulfonamide
CID 63299353
4-chloro-N-ethyl-2-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299791
2-fluoro-N-propyl-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119976534
4-chloro-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299171
N,4-diethyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 55205527
N-ethyl-2-phenyl-N-pyrrolidin-3-ylethenesulfonamide
CID 76994786
2-chloro-N-ethyl-4-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 63299481
4-bromo-N-ethyl-2-fluoro-N-pyrrolidin-3-ylbenzenesulfonamide
CID 116527878

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The IUPAC name of 2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide (CID 55205910) is 2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The canonical SMILES for 2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide is CCN(C1CCNC1)S(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
The InChIKey is WQLRCBZAFHRSFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2S/c1-2-16(12-7-8-15-10-12)19(17,18)13-6-4-3-5-11(13)9-14/h3-6,12,15H,2,7-8,10H2,1H3.
What are the key properties of 2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide?
2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide has a molecular weight of 279.36 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-ethyl-N-pyrrolidin-3-ylbenzenesulfonamide is sourced from PubChem (CID 55205910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).