N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride

C12H16ClF3N2O2S2 — CID 119964581

IUPACN-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCCNC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2S2.ClH/c13-12(14,15)20-10-3-5-11(6-4-10)21(18,19)17-9-2-1-7-16-8-9;/h3-6,9,16-17H,1-2,7-8H2;1H
InChIKeyXGYBYIQMHXBQRQ-UHFFFAOYSA-N
MW376.85 g/mol
LogP2.75
Rot. Bonds4

About N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride

N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride (PubChem CID 119964581) has the molecular formula C12H16ClF3N2O2S2 and a molecular weight of 376.85 g/mol. Its IUPAC name is N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
PubChem CID119964581
Molecular FormulaC12H16ClF3N2O2S2
Molecular Weight376.85 g/mol
Exact Mass376.03
IUPAC NameN-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride
SMILESCl.O=S(=O)(NC1CCCNC1)c1ccc(SC(F)(F)F)cc1
InChIInChI=1S/C12H15F3N2O2S2.ClH/c13-12(14,15)20-10-3-5-11(6-4-10)21(18,19)17-9-2-1-7-16-8-9;/h3-6,9,16-17H,1-2,7-8H2;1H
InChIKeyXGYBYIQMHXBQRQ-UHFFFAOYSA-N
XLogP2.75
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.85
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
N-piperidin-3-yl-4-(trifluoromethyl)benzenesulfonamide
CID 63321069
4-chloro-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964099
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723595
4-(2,2-difluoroethoxy)-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 120707154
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
4-methoxy-N-piperidin-3-ylbenzenesulfonamide;hydrochloride
CID 119964408
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
4-cyano-N-[(3R)-piperidin-3-yl]benzenesulfonamide
CID 104645700
N-[4-[[(3R)-piperidin-3-yl]sulfamoyl]phenyl]acetamide
CID 104645741
4-chloro-N-[(3R)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104645676
N,N-dimethyl-4-(piperidin-3-ylsulfamoyl)benzamide;hydrochloride
CID 120707147

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride (CID 119964581) is N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride is Cl.O=S(=O)(NC1CCCNC1)c1ccc(SC(F)(F)F)cc1.
What is the InChIKey of N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
The InChIKey is XGYBYIQMHXBQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S2.ClH/c13-12(14,15)20-10-3-5-11(6-4-10)21(18,19)17-9-2-1-7-16-8-9;/h3-6,9,16-17H,1-2,7-8H2;1H.
What are the key properties of N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride?
N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride has a molecular weight of 376.85 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-4-(trifluoromethylsulfanyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119964581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).