2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide

C12H14FN3O2S — CID 83016497

IUPAC2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C12H14FN3O2S/c13-11-5-4-6-12(10(11)9-14)19(17,18)15-16-7-2-1-3-8-16/h4-6,15H,1-3,7-8H2
InChIKeyKHHRNMVRTRYEJK-UHFFFAOYSA-N
MW283.33 g/mol
LogP1.38
Rot. Bonds3

About 2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide

2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide (PubChem CID 83016497) has the molecular formula C12H14FN3O2S and a molecular weight of 283.33 g/mol. Its IUPAC name is 2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide
PubChem CID83016497
Molecular FormulaC12H14FN3O2S
Molecular Weight283.33 g/mol
Exact Mass283.08
IUPAC Name2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide
SMILESN#Cc1c(F)cccc1S(=O)(=O)NN1CCCCC1
InChIInChI=1S/C12H14FN3O2S/c13-11-5-4-6-12(10(11)9-14)19(17,18)15-16-7-2-1-3-8-16/h4-6,15H,1-3,7-8H2
InChIKeyKHHRNMVRTRYEJK-UHFFFAOYSA-N
XLogP1.38
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-but-2-ynyl-2-cyano-3-fluorobenzenesulfonamide
CID 107258270
2-cyano-N-ethoxy-3-fluorobenzenesulfonamide
CID 64973743
2-cyano-3-fluoro-N-hex-5-ynylbenzenesulfonamide
CID 103837000
2-[1-[(2-cyano-3-fluorophenyl)sulfonylamino]cyclobutyl]acetic acid
CID 79844849
2-fluoro-N-morpholin-4-ylbenzenesulfonamide
CID 3535200
2-cyano-3-fluoro-N-(thiolan-3-yl)benzenesulfonamide
CID 113318697
2-cyano-3-fluoro-N-[(1-methylsulfanylcyclopropyl)methyl]benzenesulfonamide
CID 107271035
2-methyl-3-(piperidin-1-ylsulfamoyl)benzoic acid
CID 83005826
2-cyano-3-fluoro-N-[(2-hydroxyphenyl)methyl]benzenesulfonamide
CID 115753840
2-cyano-N-(2-ethylbutyl)-3-fluorobenzenesulfonamide
CID 115753532
2-cyano-3-fluoro-N-[(1R)-1-phenylethyl]benzenesulfonamide
CID 103833619
(2S)-N-(2-cyano-3-fluorophenyl)sulfonyl-2-cycloheptyloxypropanamide
CID 99713893

Frequently Asked Questions

What is the IUPAC name of 2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide?
The IUPAC name of 2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide (CID 83016497) is 2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide.
What is the SMILES notation for 2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide?
The canonical SMILES for 2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide is N#Cc1c(F)cccc1S(=O)(=O)NN1CCCCC1.
What is the InChIKey of 2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide?
The InChIKey is KHHRNMVRTRYEJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S/c13-11-5-4-6-12(10(11)9-14)19(17,18)15-16-7-2-1-3-8-16/h4-6,15H,1-3,7-8H2.
What are the key properties of 2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide?
2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide has a molecular weight of 283.33 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-3-fluoro-N-piperidin-1-ylbenzenesulfonamide is sourced from PubChem (CID 83016497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).