2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide

C14H19N3O2S — CID 115753517

IUPAC2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H19N3O2S/c1-11-10-17(2)8-7-13(11)16-20(18,19)14-6-4-3-5-12(14)9-15/h3-6,11,13,16H,7-8,10H2,1-2H3
InChIKeyZFCCTGDUNSVAOW-UHFFFAOYSA-N
MW293.39 g/mol
LogP1.18
Rot. Bonds3

About 2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide

2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide (PubChem CID 115753517) has the molecular formula C14H19N3O2S and a molecular weight of 293.39 g/mol. Its IUPAC name is 2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
PubChem CID115753517
Molecular FormulaC14H19N3O2S
Molecular Weight293.39 g/mol
Exact Mass293.12
IUPAC Name2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CN(C)CCC1NS(=O)(=O)c1ccccc1C#N
InChIInChI=1S/C14H19N3O2S/c1-11-10-17(2)8-7-13(11)16-20(18,19)14-6-4-3-5-12(14)9-15/h3-6,11,13,16H,7-8,10H2,1-2H3
InChIKeyZFCCTGDUNSVAOW-UHFFFAOYSA-N
XLogP1.18
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.39
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide
CID 113228817
2-cyano-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 43215397
2-cyano-N-(2-methylcyclohexyl)benzenesulfonamide
CID 43176222
2-cyano-N-cyclopropylbenzenesulfonamide
CID 7320664
2-[[(1,3-dimethylpiperidin-4-yl)amino]methyl]benzonitrile
CID 113338430
N-[(1R,2R)-2-aminocyclohexyl]-2-cyanobenzenesulfonamide
CID 93453364
4-bromo-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114383117
2,5-dibromo-N-(1,3-dimethylpiperidin-4-yl)-4-methylbenzenesulfonamide
CID 115698504
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
4-amino-N-(1,3-dimethylpiperidin-4-yl)-2-fluorobenzenesulfonamide
CID 114502894
2-cyano-N-(1,2-diethylpyrazolidin-4-yl)benzenesulfonamide
CID 6736499
3-amino-N-(1,3-dimethylpiperidin-4-yl)-2,5-dimethylbenzenesulfonamide
CID 114502923

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide (CID 115753517) is 2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide is CC1CN(C)CCC1NS(=O)(=O)c1ccccc1C#N.
What is the InChIKey of 2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is ZFCCTGDUNSVAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2S/c1-11-10-17(2)8-7-13(11)16-20(18,19)14-6-4-3-5-12(14)9-15/h3-6,11,13,16H,7-8,10H2,1-2H3.
What are the key properties of 2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide?
2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 293.39 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1,3-dimethylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 115753517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).