4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide

C12H16FNO3S — CID 99819137

IUPAC4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCOC2)cc(C)c1F
InChIInChI=1S/C12H16FNO3S/c1-8-5-11(6-9(2)12(8)13)18(15,16)14-10-3-4-17-7-10/h5-6,10,14H,3-4,7H2,1-2H3/t10-/m1/s1
InChIKeyKACDBAVJYIDJFI-SNVBAGLBSA-N
MW273.33 g/mol
LogP1.51
Rot. Bonds3

About 4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide

4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide (PubChem CID 99819137) has the molecular formula C12H16FNO3S and a molecular weight of 273.33 g/mol. Its IUPAC name is 4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
PubChem CID99819137
Molecular FormulaC12H16FNO3S
Molecular Weight273.33 g/mol
Exact Mass273.08
IUPAC Name4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)N[C@@H]2CCOC2)cc(C)c1F
InChIInChI=1S/C12H16FNO3S/c1-8-5-11(6-9(2)12(8)13)18(15,16)14-10-3-4-17-7-10/h5-6,10,14H,3-4,7H2,1-2H3/t10-/m1/s1
InChIKeyKACDBAVJYIDJFI-SNVBAGLBSA-N
XLogP1.51
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-4-fluoro-5-methyl-N-(oxan-3-yl)benzenesulfonamide
CID 115421592
3-amino-4-fluoro-5-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 115421285
4-methoxy-3-methyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868838
N-(4-aminocyclohexyl)-4-fluoro-3,5-dimethylbenzenesulfonamide;hydrochloride
CID 119970652
4-fluoro-3-methyl-5-nitro-N-(oxetan-3-yl)benzenesulfonamide
CID 113306312
N-(8-azabicyclo[3.2.1]octan-3-yl)-4-fluoro-3,5-dimethylbenzenesulfonamide
CID 119967835
3-fluoro-N-(4-fluoro-3-methylphenyl)-5-[[(3S)-oxolan-3-yl]sulfamoyl]benzamide
CID 90075345
3-bromo-N-(oxolan-3-yl)-5-(trifluoromethyl)benzenesulfonamide
CID 165368809
4-ethyl-N-(oxolan-3-yl)benzenesulfonamide
CID 110868831
3-(ethylaminomethyl)-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072571
3-fluoro-5-[2-(4-fluoro-3-methylphenyl)acetyl]-N-[(3S)-oxolan-3-yl]benzenesulfonamide;sulfane
CID 160717742
3-amino-2,4-difluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 107343713

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide (CID 99819137) is 4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide is Cc1cc(S(=O)(=O)N[C@@H]2CCOC2)cc(C)c1F.
What is the InChIKey of 4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
The InChIKey is KACDBAVJYIDJFI-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H16FNO3S/c1-8-5-11(6-9(2)12(8)13)18(15,16)14-10-3-4-17-7-10/h5-6,10,14H,3-4,7H2,1-2H3/t10-/m1/s1.
What are the key properties of 4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide?
4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide has a molecular weight of 273.33 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3,5-dimethyl-N-[(3R)-oxolan-3-yl]benzenesulfonamide is sourced from PubChem (CID 99819137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).