N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride

C13H18ClF3N2O2S — CID 120999521

IUPACN-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1C(F)(F)F)NC1CCCNC1
InChIInChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)12-6-2-1-4-10(12)9-21(19,20)18-11-5-3-7-17-8-11;/h1-2,4,6,11,17-18H,3,5,7-9H2;1H
InChIKeyPGXSIAXYTDYLPO-UHFFFAOYSA-N
MW358.81 g/mol
LogP2.30
Rot. Bonds4

About N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride

N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride (PubChem CID 120999521) has the molecular formula C13H18ClF3N2O2S and a molecular weight of 358.81 g/mol. Its IUPAC name is N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
PubChem CID120999521
Molecular FormulaC13H18ClF3N2O2S
Molecular Weight358.81 g/mol
Exact Mass358.07
IUPAC NameN-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
SMILESCl.O=S(=O)(Cc1ccccc1C(F)(F)F)NC1CCCNC1
InChIInChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)12-6-2-1-4-10(12)9-21(19,20)18-11-5-3-7-17-8-11;/h1-2,4,6,11,17-18H,3,5,7-9H2;1H
InChIKeyPGXSIAXYTDYLPO-UHFFFAOYSA-N
XLogP2.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.81
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-piperidin-3-yl-2-[2-(trifluoromethyl)phenyl]acetamide
CID 119426295
N-(2-aminocyclohexyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 59537672
N-[[2-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxamide;hydrochloride
CID 119279719
N-methyl-N-piperidin-4-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride
CID 120999709
4-chloro-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 119964194
1-cyclopropyl-N-[(3S)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120716613
N-[(3S)-piperidin-3-yl]-4-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120716651
N-[(3S)-piperidin-3-yl]ethanesulfonamide;hydrochloride
CID 53256488
N-(2-piperazin-1-ylethyl)-1-[2-(trifluoromethyl)phenyl]methanesulfonamide
CID 120999796
4-methyl-N-piperidin-3-yl-3-(trifluoromethyl)benzenesulfonamide
CID 119964145
1-(4-nitrophenyl)-N-[(3R)-piperidin-3-yl]methanesulfonamide;hydrochloride
CID 120723708
4-chloro-N-[(3S)-piperidin-3-yl]-3-(trifluoromethyl)benzenesulfonamide
CID 104982544

Frequently Asked Questions

What is the IUPAC name of N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
The IUPAC name of N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride (CID 120999521) is N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride.
What is the SMILES notation for N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
The canonical SMILES for N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride is Cl.O=S(=O)(Cc1ccccc1C(F)(F)F)NC1CCCNC1.
What is the InChIKey of N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
The InChIKey is PGXSIAXYTDYLPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S.ClH/c14-13(15,16)12-6-2-1-4-10(12)9-21(19,20)18-11-5-3-7-17-8-11;/h1-2,4,6,11,17-18H,3,5,7-9H2;1H.
What are the key properties of N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride?
N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride has a molecular weight of 358.81 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-piperidin-3-yl-1-[2-(trifluoromethyl)phenyl]methanesulfonamide;hydrochloride is sourced from PubChem (CID 120999521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).