N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

C14H20ClF3N2O2S — CID 119965607

IUPACN,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C14H19F3N2O2S.ClH/c1-10-3-4-11(14(15,16)17)9-13(10)22(20,21)19(2)12-5-7-18-8-6-12;/h3-4,9,12,18H,5-8H2,1-2H3;1H
InChIKeyUNDDAAGGUQGGGQ-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.81
Rot. Bonds3

About N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride

N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119965607) has the molecular formula C14H20ClF3N2O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119965607
Molecular FormulaC14H20ClF3N2O2S
Molecular Weight372.84 g/mol
Exact Mass372.09
IUPAC NameN,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCc1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)C1CCNCC1.Cl
InChIInChI=1S/C14H19F3N2O2S.ClH/c1-10-3-4-11(14(15,16)17)9-13(10)22(20,21)19(2)12-5-7-18-8-6-12;/h3-4,9,12,18H,5-8H2,1-2H3;1H
InChIKeyUNDDAAGGUQGGGQ-UHFFFAOYSA-N
XLogP2.81
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119965607) is N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cc1ccc(C(F)(F)F)cc1S(=O)(=O)N(C)C1CCNCC1.Cl.
What is the InChIKey of N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is UNDDAAGGUQGGGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S.ClH/c1-10-3-4-11(14(15,16)17)9-13(10)22(20,21)19(2)12-5-7-18-8-6-12;/h3-4,9,12,18H,5-8H2,1-2H3;1H.
What are the key properties of N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 372.84 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-piperidin-4-yl-5-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119965607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).