2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide

C13H16FN3O2S — CID 106995781

IUPAC2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2cccc(F)c2C#N)CCN1
InChIInChI=1S/C13H16FN3O2S/c1-9-7-10(5-6-16-9)17-20(18,19)13-4-2-3-12(14)11(13)8-15/h2-4,9-10,16-17H,5-7H2,1H3
InChIKeyOJMVCTMIBJCVII-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.12
Rot. Bonds3

About 2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide

2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide (PubChem CID 106995781) has the molecular formula C13H16FN3O2S and a molecular weight of 297.36 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
PubChem CID106995781
Molecular FormulaC13H16FN3O2S
Molecular Weight297.36 g/mol
Exact Mass297.09
IUPAC Name2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide
SMILESCC1CC(NS(=O)(=O)c2cccc(F)c2C#N)CCN1
InChIInChI=1S/C13H16FN3O2S/c1-9-7-10(5-6-16-9)17-20(18,19)13-4-2-3-12(14)11(13)8-15/h2-4,9-10,16-17H,5-7H2,1H3
InChIKeyOJMVCTMIBJCVII-UHFFFAOYSA-N
XLogP1.12
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 850001
4-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 825437
N-Cyclopropyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 2773944
N1-(8-methyl-8-azabicyclo[3.2.1]oct-3-yl)-4-cyanobenzene-1-sulfonamide
CID 2802669
2-(Piperidine-1-sulfonyl)benzonitrile
CID 698002
N-(1-cyano-4-piperidinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 44142162
2-{[2-(Trifluoromethyl)phenyl]sulfonyl}-2,7-diazaspiro[4.5]decane
CID 56755391
N,2-dimethyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 57398675
4-cyano-N-methyl-N-(1-methylpiperidin-4-yl)benzenesulfonamide
CID 3868902
1-(4-Methylbenzenesulfonyl)piperidin-4-amine
CID 4778225
4-fluoro-N-((1-isopropylpiperidin-4-yl)methyl)benzenesulfonamide
CID 16887520
4-fluoro-N-((1-isopropylpiperidin-4-yl)methyl)-3-methylbenzenesulfonamide
CID 16887557

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide (CID 106995781) is 2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide is CC1CC(NS(=O)(=O)c2cccc(F)c2C#N)CCN1.
What is the InChIKey of 2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
The InChIKey is OJMVCTMIBJCVII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2S/c1-9-7-10(5-6-16-9)17-20(18,19)13-4-2-3-12(14)11(13)8-15/h2-4,9-10,16-17H,5-7H2,1H3.
What are the key properties of 2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide?
2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide has a molecular weight of 297.36 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-(2-methylpiperidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 106995781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).