4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide

C11H16FNO4S — CID 90501111

IUPAC4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO4S/c1-11(14,8-17-2)7-13-18(15,16)10-5-3-9(12)4-6-10/h3-6,13-14H,7-8H2,1-2H3
InChIKeyKUVYANFJYXKSAT-UHFFFAOYSA-N
MW277.32 g/mol
LogP0.50
Rot. Bonds6

About 4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide

4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide (PubChem CID 90501111) has the molecular formula C11H16FNO4S and a molecular weight of 277.32 g/mol. Its IUPAC name is 4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
PubChem CID90501111
Molecular FormulaC11H16FNO4S
Molecular Weight277.32 g/mol
Exact Mass277.08
IUPAC Name4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
SMILESCOCC(C)(O)CNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H16FNO4S/c1-11(14,8-17-2)7-13-18(15,16)10-5-3-9(12)4-6-10/h3-6,13-14H,7-8H2,1-2H3
InChIKeyKUVYANFJYXKSAT-UHFFFAOYSA-N
XLogP0.50
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501119
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 90501117
3,4-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501120
N-(2-hydroxy-3-methoxy-2-methylpropyl)-4-propan-2-ylbenzenesulfonamide
CID 90501130
2,6-difluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide
CID 90501122
N-(2-amino-2-methylpropyl)-4-fluorobenzenesulfonamide;hydrochloride
CID 119988167
N-(2-cyclopropyl-2-hydroxypropyl)-4-fluorobenzenesulfonamide
CID 90499351
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
N-[2-(4-fluorophenyl)-2-hydroxypropyl]-4-propan-2-yloxybenzenesulfonamide
CID 110291474
N-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide
CID 113242756
N-(2-hydroxy-2-methylpropyl)-4-methoxybenzenesulfonamide
CID 65112797
tert-butyl 2-[(4-fluorophenyl)sulfonylamino]acetate
CID 22713394

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide (CID 90501111) is 4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide is COCC(C)(O)CNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
The InChIKey is KUVYANFJYXKSAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO4S/c1-11(14,8-17-2)7-13-18(15,16)10-5-3-9(12)4-6-10/h3-6,13-14H,7-8H2,1-2H3.
What are the key properties of 4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide?
4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide has a molecular weight of 277.32 g/mol, XLogP of 0.50, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(2-hydroxy-3-methoxy-2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 90501111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).