N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

C14H20ClF3N2O2S — CID 119979230

IUPACN-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCCNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2S.ClH/c15-14(16,17)12-4-1-5-13(9-12)22(20,21)19-8-6-11-3-2-7-18-10-11;/h1,4-5,9,11,18-19H,2-3,6-8,10H2;1H
InChIKeyBXWPWMJGVAXUFR-UHFFFAOYSA-N
MW372.84 g/mol
LogP2.80
Rot. Bonds5

About N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride

N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (PubChem CID 119979230) has the molecular formula C14H20ClF3N2O2S and a molecular weight of 372.84 g/mol. Its IUPAC name is N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
PubChem CID119979230
Molecular FormulaC14H20ClF3N2O2S
Molecular Weight372.84 g/mol
Exact Mass372.09
IUPAC NameN-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NCCC1CCCNC1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H19F3N2O2S.ClH/c15-14(16,17)12-4-1-5-13(9-12)22(20,21)19-8-6-11-3-2-7-18-10-11;/h1,4-5,9,11,18-19H,2-3,6-8,10H2;1H
InChIKeyBXWPWMJGVAXUFR-UHFFFAOYSA-N
XLogP2.80
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.84
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895184
4-chloro-N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 119979324
3,4-difluoro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895192
N-piperidin-3-yl-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]butanamide;hydrochloride
CID 119428190
N-(2-piperidin-3-ylethyl)naphthalene-2-sulfonamide
CID 119979389
N-(2-piperidin-3-ylethyl)pyridine-3-sulfonamide;hydrochloride
CID 119979495
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
N-(2-piperidin-3-ylethyl)-2-[3-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119558465
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
3-ethylsulfonyl-N-(2-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 119977092
4-(2-piperidin-3-ylethylsulfamoyl)-N-(2,2,2-trifluoroethyl)benzamide;hydrochloride
CID 119979610
3-bromo-4-nitro-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 119979191

Frequently Asked Questions

What is the IUPAC name of N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride (CID 119979230) is N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NCCC1CCCNC1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
The InChIKey is BXWPWMJGVAXUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O2S.ClH/c15-14(16,17)12-4-1-5-13(9-12)22(20,21)19-8-6-11-3-2-7-18-10-11;/h1,4-5,9,11,18-19H,2-3,6-8,10H2;1H.
What are the key properties of N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride?
N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride has a molecular weight of 372.84 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperidin-3-ylethyl)-3-(trifluoromethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119979230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).