3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

C12H15ClFN3O2S — CID 119960586

IUPAC3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCl.N#Cc1cc(S(=O)(=O)NC2CCNCC2)ccc1F
InChIInChI=1S/C12H14FN3O2S.ClH/c13-12-2-1-11(7-9(12)8-14)19(17,18)16-10-3-5-15-6-4-10;/h1-2,7,10,15-16H,3-6H2;1H
InChIKeyFBGUTWWZAAYEAC-UHFFFAOYSA-N
MW319.79 g/mol
LogP1.15
Rot. Bonds3

About 3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride

3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (PubChem CID 119960586) has the molecular formula C12H15ClFN3O2S and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
PubChem CID119960586
Molecular FormulaC12H15ClFN3O2S
Molecular Weight319.79 g/mol
Exact Mass319.06
IUPAC Name3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
SMILESCl.N#Cc1cc(S(=O)(=O)NC2CCNCC2)ccc1F
InChIInChI=1S/C12H14FN3O2S.ClH/c13-12-2-1-11(7-9(12)8-14)19(17,18)16-10-3-5-15-6-4-10;/h1-2,7,10,15-16H,3-6H2;1H
InChIKeyFBGUTWWZAAYEAC-UHFFFAOYSA-N
XLogP1.15
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.79
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723667
3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide
CID 120998884
3-cyano-4-fluoro-N-(4-methylpiperidin-3-yl)benzenesulfonamide
CID 120722842
3-cyano-4-fluoro-N-(pyrrolidin-3-ylmethyl)benzenesulfonamide;hydrochloride
CID 120720970
3-cyano-N-(2,3-dimethylcyclopentyl)-4-fluorobenzenesulfonamide
CID 64910233
3-fluoro-4-methoxy-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960633
3-fluoro-4-methylsulfonyl-N-piperidin-4-ylbenzenesulfonamide
CID 119960411
3-cyano-N-(2,2-dimethylcyclopropyl)-4-fluorobenzenesulfonamide
CID 55172697
3-cyano-4-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 55172890
3-cyano-4-fluoro-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)benzenesulfonamide;hydrochloride
CID 120778365
4-(difluoromethoxy)-3-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 120874438
3-cyano-N-(2-cyclopropyloxolan-3-yl)-4-fluorobenzenesulfonamide
CID 103864215

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The IUPAC name of 3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride (CID 119960586) is 3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The canonical SMILES for 3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is Cl.N#Cc1cc(S(=O)(=O)NC2CCNCC2)ccc1F.
What is the InChIKey of 3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
The InChIKey is FBGUTWWZAAYEAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S.ClH/c13-12-2-1-11(7-9(12)8-14)19(17,18)16-10-3-5-15-6-4-10;/h1-2,7,10,15-16H,3-6H2;1H.
What are the key properties of 3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride?
3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride has a molecular weight of 319.79 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4-fluoro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).