2,4,6-trifluoro-N-propylbenzenesulfonamide

C9H10F3NO2S — CID 60971458

IUPAC2,4,6-trifluoro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H10F3NO2S/c1-2-3-13-16(14,15)9-7(11)4-6(10)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyCZAUPUMYKBWCGW-UHFFFAOYSA-N
MW253.24 g/mol
LogP1.79
Rot. Bonds4

About 2,4,6-trifluoro-N-propylbenzenesulfonamide

2,4,6-trifluoro-N-propylbenzenesulfonamide (PubChem CID 60971458) has the molecular formula C9H10F3NO2S and a molecular weight of 253.24 g/mol. Its IUPAC name is 2,4,6-trifluoro-N-propylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trifluoro-N-propylbenzenesulfonamide
PubChem CID60971458
Molecular FormulaC9H10F3NO2S
Molecular Weight253.24 g/mol
Exact Mass253.04
IUPAC Name2,4,6-trifluoro-N-propylbenzenesulfonamide
SMILESCCCNS(=O)(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H10F3NO2S/c1-2-3-13-16(14,15)9-7(11)4-6(10)5-8(9)12/h4-5,13H,2-3H2,1H3
InChIKeyCZAUPUMYKBWCGW-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.24
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,4,6-trifluoro-N-(2-methylpropyl)benzenesulfonamide
CID 47358735
3-[(2,4,6-trifluorophenyl)sulfonylamino]propanoic acid
CID 54881721
N-(cyanomethyl)-2,4,6-trifluorobenzenesulfonamide
CID 60972331
N-(4-bromopentyl)-2,4,6-trifluorobenzenesulfonamide
CID 114148263
2,4,6-trifluoro-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 83030525
2-[(2-bromo-4,6-difluorophenyl)sulfonylamino]-N-propylacetamide
CID 60628452
2-[[(2,4,6-trifluorophenyl)sulfonylamino]methyl]pentanoic acid
CID 65223007
2-[(2,4,6-trifluorophenyl)sulfonylamino]acetamide
CID 64590449
2,4,6-trifluoro-N-[2-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120825089
4-fluoro-2,6-dimethyl-N-octylbenzenesulfonamide
CID 107327354
N-(4-amino-2,2-dimethylbutyl)-2,4,6-trifluorobenzenesulfonamide
CID 106141646
N'-hydroxy-4-[(2,4,6-trifluorophenyl)sulfonylamino]butanimidamide
CID 76952828

Frequently Asked Questions

What is the IUPAC name of 2,4,6-trifluoro-N-propylbenzenesulfonamide?
The IUPAC name of 2,4,6-trifluoro-N-propylbenzenesulfonamide (CID 60971458) is 2,4,6-trifluoro-N-propylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trifluoro-N-propylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trifluoro-N-propylbenzenesulfonamide is CCCNS(=O)(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2,4,6-trifluoro-N-propylbenzenesulfonamide?
The InChIKey is CZAUPUMYKBWCGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S/c1-2-3-13-16(14,15)9-7(11)4-6(10)5-8(9)12/h4-5,13H,2-3H2,1H3.
What are the key properties of 2,4,6-trifluoro-N-propylbenzenesulfonamide?
2,4,6-trifluoro-N-propylbenzenesulfonamide has a molecular weight of 253.24 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trifluoro-N-propylbenzenesulfonamide is sourced from PubChem (CID 60971458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).