4-fluoro-N-hydroxy-N-methylbenzenesulfonamide

C7H8FNO3S — CID 130971080

IUPAC4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
SMILESCN(O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C7H8FNO3S/c1-9(10)13(11,12)7-4-2-6(8)3-5-7/h2-5,10H,1H3
InChIKeyKANWPMVGFQVHBZ-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.84
Rot. Bonds2

About 4-fluoro-N-hydroxy-N-methylbenzenesulfonamide

4-fluoro-N-hydroxy-N-methylbenzenesulfonamide (PubChem CID 130971080) has the molecular formula C7H8FNO3S and a molecular weight of 205.21 g/mol. Its IUPAC name is 4-fluoro-N-hydroxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
PubChem CID130971080
Molecular FormulaC7H8FNO3S
Molecular Weight205.21 g/mol
Exact Mass205.02
IUPAC Name4-fluoro-N-hydroxy-N-methylbenzenesulfonamide
SMILESCN(O)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C7H8FNO3S/c1-9(10)13(11,12)7-4-2-6(8)3-5-7/h2-5,10H,1H3
InChIKeyKANWPMVGFQVHBZ-UHFFFAOYSA-N
XLogP0.84
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[(4-fluorophenyl)sulfonyl-methylamino]-2-methylpropanoic acid
CID 20691478
4-fluoro-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387236
2-[carboxymethyl-(4-fluorophenyl)sulfonylamino]acetic acid
CID 705727
N-(2-chloroethyl)-4-fluoro-N-methylbenzenesulfonamide
CID 63396604
N-(2,6-difluorophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 47359938
4-fluoro-N-methyl-N-pyrrolidin-3-ylbenzenesulfonamide
CID 60807173
4-fluoro-N-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 106934928
N-(4-bromophenyl)-4-fluoro-N-methylbenzenesulfonamide
CID 100502341
4-fluoro-N-(2-fluorophenyl)-N-methylbenzenesulfonamide
CID 51096183
2-[(4-fluorophenyl)sulfonyl-methylamino]-3,4-dimethylbenzoic acid
CID 69306956
4-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 43606910
N-(4-fluorophenyl)-N-methyl-4-methylsulfanylbenzenesulfonamide
CID 49189224

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-hydroxy-N-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-hydroxy-N-methylbenzenesulfonamide (CID 130971080) is 4-fluoro-N-hydroxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-hydroxy-N-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-hydroxy-N-methylbenzenesulfonamide is CN(O)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-hydroxy-N-methylbenzenesulfonamide?
The InChIKey is KANWPMVGFQVHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FNO3S/c1-9(10)13(11,12)7-4-2-6(8)3-5-7/h2-5,10H,1H3.
What are the key properties of 4-fluoro-N-hydroxy-N-methylbenzenesulfonamide?
4-fluoro-N-hydroxy-N-methylbenzenesulfonamide has a molecular weight of 205.21 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-hydroxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 130971080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).