3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide

C13H14F3N3O2S — CID 120998884

IUPAC3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NC2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O2S/c14-13(15,16)12-2-1-11(7-9(12)8-17)22(20,21)19-10-3-5-18-6-4-10/h1-2,7,10,18-19H,3-6H2
InChIKeySYQXRXPYOWEPAX-UHFFFAOYSA-N
MW333.34 g/mol
LogP1.61
Rot. Bonds3

About 3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide

3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 120998884) has the molecular formula C13H14F3N3O2S and a molecular weight of 333.34 g/mol. Its IUPAC name is 3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide
PubChem CID120998884
Molecular FormulaC13H14F3N3O2S
Molecular Weight333.34 g/mol
Exact Mass333.08
IUPAC Name3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide
SMILESN#Cc1cc(S(=O)(=O)NC2CCNCC2)ccc1C(F)(F)F
InChIInChI=1S/C13H14F3N3O2S/c14-13(15,16)12-2-1-11(7-9(12)8-17)22(20,21)19-10-3-5-18-6-4-10/h1-2,7,10,18-19H,3-6H2
InChIKeySYQXRXPYOWEPAX-UHFFFAOYSA-N
XLogP1.61
TPSA81.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.34
LogP ≤ 51.61
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
5-piperazin-1-ylsulfonyl-2-(trifluoromethyl)benzonitrile;hydrochloride
CID 120999057
N-(2-aminoethyl)-3-cyano-4-(trifluoromethyl)benzenesulfonamide
CID 120998831
3,4-dichloro-N-piperidin-4-ylbenzenesulfonamide
CID 28810999
3-cyano-4-fluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723667
N-piperidin-4-yl-1,3-benzodioxole-5-sulfonamide
CID 28811020
4-(piperidin-4-ylamino)-2-(trifluoromethyl)benzonitrile
CID 43345818
4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119966060
4-cyano-N-[(3R)-pyrrolidin-3-yl]benzenesulfonamide
CID 79685701
N-piperidin-4-yl-4-(2,2,2-trifluoroethyl)benzenesulfonamide;hydrochloride
CID 120706275
4-chloro-3-cyano-N-piperidin-3-ylbenzenesulfonamide
CID 119964211
N-cyclohexyl-4-fluoro-3-(trifluoromethyl)benzenesulfonamide
CID 52746543

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide (CID 120998884) is 3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide is N#Cc1cc(S(=O)(=O)NC2CCNCC2)ccc1C(F)(F)F.
What is the InChIKey of 3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is SYQXRXPYOWEPAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2S/c14-13(15,16)12-2-1-11(7-9(12)8-17)22(20,21)19-10-3-5-18-6-4-10/h1-2,7,10,18-19H,3-6H2.
What are the key properties of 3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide?
3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 333.34 g/mol, XLogP of 1.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 120998884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).