2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide

C12H15F3N2O2S — CID 103976987

IUPAC2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(F)cc(F)cc1F)C1CCNC1
InChIInChI=1S/C12H15F3N2O2S/c1-7(8-2-3-16-6-8)17-20(18,19)12-10(14)4-9(13)5-11(12)15/h4-5,7-8,16-17H,2-3,6H2,1H3
InChIKeyKZWFPFPNEFSOLH-UHFFFAOYSA-N
MW308.33 g/mol
LogP1.38
Rot. Bonds4

About 2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide

2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide (PubChem CID 103976987) has the molecular formula C12H15F3N2O2S and a molecular weight of 308.33 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
PubChem CID103976987
Molecular FormulaC12H15F3N2O2S
Molecular Weight308.33 g/mol
Exact Mass308.08
IUPAC Name2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1c(F)cc(F)cc1F)C1CCNC1
InChIInChI=1S/C12H15F3N2O2S/c1-7(8-2-3-16-6-8)17-20(18,19)12-10(14)4-9(13)5-11(12)15/h4-5,7-8,16-17H,2-3,6H2,1H3
InChIKeyKZWFPFPNEFSOLH-UHFFFAOYSA-N
XLogP1.38
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.33
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-2,6-dimethyl-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide
CID 107326180
4-bromo-3-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 103828938
2,4,6-trifluoro-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 119966989
5-chloro-2-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 120894013
3,4-difluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970228
N-(1-cyclopropylethyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326719
2-methyl-N-(1-pyrrolidin-3-ylethyl)pyrazole-3-sulfonamide
CID 104709488
2-chloro-5-fluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 115752267
5-fluoro-2-methyl-N-(1-piperidin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 119970327
2,3,4-trifluoro-N-(1-piperidin-3-ylethyl)benzenesulfonamide
CID 62045365
2,4,6-trifluoro-N-piperidin-4-ylbenzenesulfonamide
CID 54881709
N-[(1R)-1-cyclopropylethyl]-2,6-difluorobenzenesulfonamide
CID 8817126

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide (CID 103976987) is 2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1c(F)cc(F)cc1F)C1CCNC1.
What is the InChIKey of 2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide?
The InChIKey is KZWFPFPNEFSOLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F3N2O2S/c1-7(8-2-3-16-6-8)17-20(18,19)12-10(14)4-9(13)5-11(12)15/h4-5,7-8,16-17H,2-3,6H2,1H3.
What are the key properties of 2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide?
2,4,6-trifluoro-N-(1-pyrrolidin-3-ylethyl)benzenesulfonamide has a molecular weight of 308.33 g/mol, XLogP of 1.38, 4 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-(1-pyrrolidin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 103976987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).