2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide

C9H12FNO3S — CID 21078666

IUPAC2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(C)(O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C9H12FNO3S/c1-9(2,12)11-15(13,14)8-6-4-3-5-7(8)10/h3-6,11-12H,1-2H3
InChIKeyMVTUYXKUGWAKLA-UHFFFAOYSA-N
MW233.26 g/mol
LogP0.83
Rot. Bonds3

About 2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide

2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide (PubChem CID 21078666) has the molecular formula C9H12FNO3S and a molecular weight of 233.26 g/mol. Its IUPAC name is 2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
PubChem CID21078666
Molecular FormulaC9H12FNO3S
Molecular Weight233.26 g/mol
Exact Mass233.05
IUPAC Name2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide
SMILESCC(C)(O)NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C9H12FNO3S/c1-9(2,12)11-15(13,14)8-6-4-3-5-7(8)10/h3-6,11-12H,1-2H3
InChIKeyMVTUYXKUGWAKLA-UHFFFAOYSA-N
XLogP0.83
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.26
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-fluorobenzenesulfonamide
CID 114008662
N-(2-cyclopropylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 103697710
3-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 113431409
2-ethyl-2-[(2-fluorophenyl)sulfonylamino]butanethioamide
CID 61123886
N-(1-amino-2,3-dimethylbutan-2-yl)-2-fluorobenzenesulfonamide
CID 115310559
N-(1-chloro-2-phenylpropan-2-yl)-2-fluorobenzenesulfonamide
CID 105060281
N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-fluorobenzenesulfonamide
CID 8778267
N-tert-butyl-2-(2-fluorophenyl)benzenesulfonamide
CID 68896231
N'-(2-fluorophenyl)sulfonyl-2-methylpropanehydrazide
CID 17394762
N-tert-butyl-2,3-difluorobenzenesulfonamide
CID 167068212
N-(2,2-dimethylbutyl)-2-fluorobenzenesulfonamide
CID 103461134
1-fluoro-2-(trifluoromethylsulfonyl)benzene;ruthenium
CID 159777789

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide (CID 21078666) is 2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide is CC(C)(O)NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide?
The InChIKey is MVTUYXKUGWAKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3S/c1-9(2,12)11-15(13,14)8-6-4-3-5-7(8)10/h3-6,11-12H,1-2H3.
What are the key properties of 2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide?
2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide has a molecular weight of 233.26 g/mol, XLogP of 0.83, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(2-hydroxypropan-2-yl)benzenesulfonamide is sourced from PubChem (CID 21078666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).