2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide

C13H15F3N2O2S — CID 107487871

IUPAC2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1=CCNCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H15F3N2O2S/c14-10-7-11(15)13(12(16)8-10)21(19,20)18-6-3-9-1-4-17-5-2-9/h1,7-8,17-18H,2-6H2
InChIKeySKCNEIUYMXPWLD-UHFFFAOYSA-N
MW320.34 g/mol
LogP1.69
Rot. Bonds5

About 2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide

2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide (PubChem CID 107487871) has the molecular formula C13H15F3N2O2S and a molecular weight of 320.34 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide
PubChem CID107487871
Molecular FormulaC13H15F3N2O2S
Molecular Weight320.34 g/mol
Exact Mass320.08
IUPAC Name2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide
SMILESO=S(=O)(NCCC1=CCNCC1)c1c(F)cc(F)cc1F
InChIInChI=1S/C13H15F3N2O2S/c14-10-7-11(15)13(12(16)8-10)21(19,20)18-6-3-9-1-4-17-5-2-9/h1,7-8,17-18H,2-6H2
InChIKeySKCNEIUYMXPWLD-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2,4,6-trifluoro-N-(2-piperazin-1-ylethyl)benzenesulfonamide;dihydrochloride
CID 119966401
3-bromo-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide
CID 107488204
2,4,6-trifluoro-N-propylbenzenesulfonamide
CID 60971458
N-[2-(cyclopenten-1-yl)ethyl]-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 106150784
2-bromo-6-chloro-4-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 120721700
2-chloro-6-fluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721787
4,4,4-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butane-1-sulfonamide
CID 107488158
3,3-dimethyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]butane-1-sulfonamide
CID 107488249
3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
CID 54881721
methyl 2-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethylsulfamoyl]acetate
CID 107487761
5-bromo-2,4-difluoro-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide;hydrochloride
CID 120721640
2,4,6-trimethyl-N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)benzenesulfonamide
CID 114694284

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide (CID 107487871) is 2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide is O=S(=O)(NCCC1=CCNCC1)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide?
The InChIKey is SKCNEIUYMXPWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O2S/c14-10-7-11(15)13(12(16)8-10)21(19,20)18-6-3-9-1-4-17-5-2-9/h1,7-8,17-18H,2-6H2.
What are the key properties of 2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide?
2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide has a molecular weight of 320.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 107487871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).