N-(2,6-difluorophenyl)propane-1-sulfonamide

C9H11F2NO2S — CID 60640758

IUPACN-(2,6-difluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)cccc1F
InChIInChI=1S/C9H11F2NO2S/c1-2-6-15(13,14)12-9-7(10)4-3-5-8(9)11/h3-5,12H,2,6H2,1H3
InChIKeyKXINBJUVOHPVGU-UHFFFAOYSA-N
MW235.25 g/mol
LogP2.12
Rot. Bonds4

About N-(2,6-difluorophenyl)propane-1-sulfonamide

N-(2,6-difluorophenyl)propane-1-sulfonamide (PubChem CID 60640758) has the molecular formula C9H11F2NO2S and a molecular weight of 235.25 g/mol. Its IUPAC name is N-(2,6-difluorophenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,6-difluorophenyl)propane-1-sulfonamide
PubChem CID60640758
Molecular FormulaC9H11F2NO2S
Molecular Weight235.25 g/mol
Exact Mass235.05
IUPAC NameN-(2,6-difluorophenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1c(F)cccc1F
InChIInChI=1S/C9H11F2NO2S/c1-2-6-15(13,14)12-9-7(10)4-3-5-8(9)11/h3-5,12H,2,6H2,1H3
InChIKeyKXINBJUVOHPVGU-UHFFFAOYSA-N
XLogP2.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,6-difluorophenyl)ethanesulfonamide
CID 60642898
N-(2-fluorophenyl)propane-1-sulfonamide
CID 60640812
2-(cyclopropylamino)-N-(2,6-difluorophenyl)ethanesulfonamide
CID 114134282
methyl 4-[(2,6-difluorophenyl)sulfamoyl]butanoate
CID 61460236
4-(ethylamino)-N-(2-fluoro-6-methylphenyl)butane-1-sulfonamide
CID 106083705
N-[6-(2,6-difluoroanilino)pyridazin-3-yl]butane-1-sulfonamide
CID 113051590
N-(2-bromo-6-fluorophenyl)-3-(methylamino)propane-1-sulfonamide
CID 106089645
N-(2,6-difluorophenyl)-4-propylbenzenesulfonamide
CID 8500875
N-(2-fluoro-6-methylphenyl)-4-(methylamino)butane-1-sulfonamide
CID 106083706
N-(2-chloro-6-fluorophenyl)-4-(methylamino)butane-1-sulfonamide
CID 114142281
N-(2-bromo-6-fluorophenyl)-3-chloropropane-1-sulfonamide
CID 107602659
4-amino-N-(2-chloro-6-fluorophenyl)butane-1-sulfonamide
CID 106083654

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluorophenyl)propane-1-sulfonamide?
The IUPAC name of N-(2,6-difluorophenyl)propane-1-sulfonamide (CID 60640758) is N-(2,6-difluorophenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2,6-difluorophenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2,6-difluorophenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1c(F)cccc1F.
What is the InChIKey of N-(2,6-difluorophenyl)propane-1-sulfonamide?
The InChIKey is KXINBJUVOHPVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2S/c1-2-6-15(13,14)12-9-7(10)4-3-5-8(9)11/h3-5,12H,2,6H2,1H3.
What are the key properties of N-(2,6-difluorophenyl)propane-1-sulfonamide?
N-(2,6-difluorophenyl)propane-1-sulfonamide has a molecular weight of 235.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluorophenyl)propane-1-sulfonamide is sourced from PubChem (CID 60640758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).