3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

C12H15ClFN3O2S — CID 120723667

IUPAC3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCl.N#Cc1cc(S(=O)(=O)N[C@@H]2CCCNC2)ccc1F
InChIInChI=1S/C12H14FN3O2S.ClH/c13-12-4-3-11(6-9(12)7-14)19(17,18)16-10-2-1-5-15-8-10;/h3-4,6,10,15-16H,1-2,5,8H2;1H/t10-;/m1./s1
InChIKeyYAISNSSDYYQUIZ-HNCPQSOCSA-N
MW319.79 g/mol
LogP1.15
Rot. Bonds3

About 3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride

3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (PubChem CID 120723667) has the molecular formula C12H15ClFN3O2S and a molecular weight of 319.79 g/mol. Its IUPAC name is 3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
PubChem CID120723667
Molecular FormulaC12H15ClFN3O2S
Molecular Weight319.79 g/mol
Exact Mass319.06
IUPAC Name3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
SMILESCl.N#Cc1cc(S(=O)(=O)N[C@@H]2CCCNC2)ccc1F
InChIInChI=1S/C12H14FN3O2S.ClH/c13-12-4-3-11(6-9(12)7-14)19(17,18)16-10-2-1-5-15-8-10;/h3-4,6,10,15-16H,1-2,5,8H2;1H/t10-;/m1./s1
InChIKeyYAISNSSDYYQUIZ-HNCPQSOCSA-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-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119960586
4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide
CID 119964211
3-chloro-4-cyano-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964435
3-chloro-4-cyano-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982589
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
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-fluoro-4-methoxy-N-[(3S)-piperidin-3-yl]benzenesulfonamide
CID 104982668
3-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964195
N-[(3S)-piperidin-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 120716762

Frequently Asked Questions

What is the IUPAC name of 3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride (CID 120723667) is 3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is Cl.N#Cc1cc(S(=O)(=O)N[C@@H]2CCCNC2)ccc1F.
What is the InChIKey of 3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
The InChIKey is YAISNSSDYYQUIZ-HNCPQSOCSA-N. The full InChI is InChI=1S/C12H14FN3O2S.ClH/c13-12-4-3-11(6-9(12)7-14)19(17,18)16-10-2-1-5-15-8-10;/h3-4,6,10,15-16H,1-2,5,8H2;1H/t10-;/m1./s1.
What are the key properties of 3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride?
3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;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-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120723667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).