6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide

C17H18N4O2S — CID 167971325

IUPAC6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESN#CC(c1ccccc1)C1CCCN1c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C17H18N4O2S/c18-11-15(13-5-2-1-3-6-13)16-7-4-10-21(16)17-9-8-14(12-20-17)24(19,22)23/h1-3,5-6,8-9,12,15-16H,4,7,10H2,(H2,19,22,23)
InChIKeyGXKFCZDYWMWKQT-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.01
Rot. Bonds4

About 6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide

6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide (PubChem CID 167971325) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
PubChem CID167971325
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide
SMILESN#CC(c1ccccc1)C1CCCN1c1ccc(S(N)(=O)=O)cn1
InChIInChI=1S/C17H18N4O2S/c18-11-15(13-5-2-1-3-6-13)16-7-4-10-21(16)17-9-8-14(12-20-17)24(19,22)23/h1-3,5-6,8-9,12,15-16H,4,7,10H2,(H2,19,22,23)
InChIKeyGXKFCZDYWMWKQT-UHFFFAOYSA-N
XLogP2.01
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-(1-quinazolin-4-ylpyrrolidin-2-yl)acetonitrile
CID 133333339
2-[1-(4-methoxypyrimidin-2-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133333373
2-[1-(3-cyclopropyl-1,2,4-thiadiazol-5-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133428267
6-pyrrolidin-1-ylpyridine-3-sulfonamide
CID 9115059
2-[1-(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)pyrrolidin-2-yl]-2-phenylacetonitrile
CID 133461468
2-[3-[hydroxy(phenyl)methyl]piperidin-1-yl]pyrimidine-5-sulfonamide
CID 167752090
2-phenyl-2-[1-(4,4,4-trifluoro-2-methylbutanoyl)pyrrolidin-2-yl]acetonitrile
CID 146092317
(2S)-1-[5-[di(propan-2-yl)sulfamoyl]-2-pyridinyl]pyrrolidine-2-carboxylic acid
CID 122059850
(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
2-(1,2,3,4,6,7,8,8a-octahydropyrrolo[1,2-a]pyrimidin-4-yl)-2-phenylacetonitrile
CID 66633853
(2S)-1-(5-piperidin-1-ylsulfonyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 122059848
6-(3,9-diazabicyclo[4.2.1]nonan-3-yl)pyridine-3-sulfonamide
CID 115314754

Frequently Asked Questions

What is the IUPAC name of 6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide (CID 167971325) is 6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide is N#CC(c1ccccc1)C1CCCN1c1ccc(S(N)(=O)=O)cn1.
What is the InChIKey of 6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide?
The InChIKey is GXKFCZDYWMWKQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c18-11-15(13-5-2-1-3-6-13)16-7-4-10-21(16)17-9-8-14(12-20-17)24(19,22)23/h1-3,5-6,8-9,12,15-16H,4,7,10H2,(H2,19,22,23).
What are the key properties of 6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide?
6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide has a molecular weight of 342.42 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[cyano(phenyl)methyl]pyrrolidin-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 167971325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).