2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

C13H17F3N2O2S — CID 62045365

IUPAC2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1F)C1CCCNC1
InChIInChI=1S/C13H17F3N2O2S/c1-8(9-3-2-6-17-7-9)18-21(19,20)11-5-4-10(14)12(15)13(11)16/h4-5,8-9,17-18H,2-3,6-7H2,1H3
InChIKeyNAZPXIPKXBJQEJ-UHFFFAOYSA-N
MW322.35 g/mol
LogP1.77
Rot. Bonds4

About 2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide

2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (PubChem CID 62045365) has the molecular formula C13H17F3N2O2S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
PubChem CID62045365
Molecular FormulaC13H17F3N2O2S
Molecular Weight322.35 g/mol
Exact Mass322.10
IUPAC Name2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccc(F)c(F)c1F)C1CCCNC1
InChIInChI=1S/C13H17F3N2O2S/c1-8(9-3-2-6-17-7-9)18-21(19,20)11-5-4-10(14)12(15)13(11)16/h4-5,8-9,17-18H,2-3,6-7H2,1H3
InChIKeyNAZPXIPKXBJQEJ-UHFFFAOYSA-N
XLogP1.77
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
4-bromo-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 120708183
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62046207
3,5-dichloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970234
4-bromo-2-chloro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970282
4-cyano-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828937
N-(1-piperidin-3-ylethyl)-2-(trifluoromethoxy)benzenesulfonamide
CID 119970410
2-methyl-4-nitro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 119970420

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide (CID 62045365) is 2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccc(F)c(F)c1F)C1CCCNC1.
What is the InChIKey of 2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
The InChIKey is NAZPXIPKXBJQEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3N2O2S/c1-8(9-3-2-6-17-7-9)18-21(19,20)11-5-4-10(14)12(15)13(11)16/h4-5,8-9,17-18H,2-3,6-7H2,1H3.
What are the key properties of 2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide?
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide has a molecular weight of 322.35 g/mol, XLogP of 1.77, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 62045365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).