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

C14H16F3N3O2S — CID 119966060

IUPAC4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O2S/c1-20(11-4-6-19-7-5-11)23(21,22)12-3-2-10(9-18)13(8-12)14(15,16)17/h2-3,8,11,19H,4-7H2,1H3
InChIKeyOHJJAPGBQCQFCL-UHFFFAOYSA-N
MW347.36 g/mol
LogP1.95
Rot. Bonds3

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

4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 119966060) has the molecular formula C14H16F3N3O2S and a molecular weight of 347.36 g/mol. Its IUPAC name is 4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
PubChem CID119966060
Molecular FormulaC14H16F3N3O2S
Molecular Weight347.36 g/mol
Exact Mass347.09
IUPAC Name4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide
SMILESCN(C1CCNCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1
InChIInChI=1S/C14H16F3N3O2S/c1-20(11-4-6-19-7-5-11)23(21,22)12-3-2-10(9-18)13(8-12)14(15,16)17/h2-3,8,11,19H,4-7H2,1H3
InChIKeyOHJJAPGBQCQFCL-UHFFFAOYSA-N
XLogP1.95
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.36
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(azepan-4-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
CID 107173032
N,4-dimethyl-N-pyrrolidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119978705
4-cyano-N-cyclopropyl-N,3-dimethylbenzenesulfonamide
CID 106833025
4-chloro-3-cyano-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 119978766
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
N-(azetidin-3-yl)-3-chloro-4-cyano-N-methylbenzenesulfonamide
CID 113370449
N-(azepan-4-yl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
CID 107172940
4-(piperidin-4-ylamino)-2-(trifluoromethyl)benzonitrile
CID 43345818
4-chloro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606986
3-cyano-N-piperidin-4-yl-4-(trifluoromethyl)benzenesulfonamide
CID 120998884
N,3-dimethyl-4-nitro-N-piperidin-4-ylbenzenesulfonamide;hydrochloride
CID 119966044

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of 4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide (CID 119966060) is 4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for 4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for 4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide is CN(C1CCNCC1)S(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1.
What is the InChIKey of 4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is OHJJAPGBQCQFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O2S/c1-20(11-4-6-19-7-5-11)23(21,22)12-3-2-10(9-18)13(8-12)14(15,16)17/h2-3,8,11,19H,4-7H2,1H3.
What are the key properties of 4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide?
4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 347.36 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-methyl-N-piperidin-4-yl-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 119966060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).