N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide

C14H19F3N2O3S — CID 119970410

IUPACN-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1OC(F)(F)F)C1CCCNC1
InChIInChI=1S/C14H19F3N2O3S/c1-10(11-5-4-8-18-9-11)19-23(20,21)13-7-3-2-6-12(13)22-14(15,16)17/h2-3,6-7,10-11,18-19H,4-5,8-9H2,1H3
InChIKeyGZRJWXIHKNAGMZ-UHFFFAOYSA-N
MW352.38 g/mol
LogP2.25
Rot. Bonds5

About N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide

N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide (PubChem CID 119970410) has the molecular formula C14H19F3N2O3S and a molecular weight of 352.38 g/mol. Its IUPAC name is N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
PubChem CID119970410
Molecular FormulaC14H19F3N2O3S
Molecular Weight352.38 g/mol
Exact Mass352.11
IUPAC NameN-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1OC(F)(F)F)C1CCCNC1
InChIInChI=1S/C14H19F3N2O3S/c1-10(11-5-4-8-18-9-11)19-23(20,21)13-7-3-2-6-12(13)22-14(15,16)17/h2-3,6-7,10-11,18-19H,4-5,8-9H2,1H3
InChIKeyGZRJWXIHKNAGMZ-UHFFFAOYSA-N
XLogP2.25
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.38
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-piperidin-3-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 104982614
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
2-methoxy-5-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62047418
4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120708183
N-(1-piperidin-3-ylethyl)furan-2-sulfonamide
CID 120874778
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207
N-[(2S)-1-aminopropan-2-yl]-2-(trifluoromethoxy)benzenesulfonamide
CID 98539299
3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937

Frequently Asked Questions

What is the IUPAC name of N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The IUPAC name of N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide (CID 119970410) is N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide.
What is the SMILES notation for N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The canonical SMILES for N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1OC(F)(F)F)C1CCCNC1.
What is the InChIKey of N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
The InChIKey is GZRJWXIHKNAGMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N2O3S/c1-10(11-5-4-8-18-9-11)19-23(20,21)13-7-3-2-6-12(13)22-14(15,16)17/h2-3,6-7,10-11,18-19H,4-5,8-9H2,1H3.
What are the key properties of N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide?
N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide has a molecular weight of 352.38 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 119970410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).