N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide

C10H14FNO3S — CID 64786303

IUPACN-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C10H14FNO3S/c1-7(2)6-16(14,15)12-10-4-3-8(13)5-9(10)11/h3-5,7,12-13H,6H2,1-2H3
InChIKeyGJJAJGUKEOQWGC-UHFFFAOYSA-N
MW247.29 g/mol
LogP1.93
Rot. Bonds4

About N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide

N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide (PubChem CID 64786303) has the molecular formula C10H14FNO3S and a molecular weight of 247.29 g/mol. Its IUPAC name is N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
PubChem CID64786303
Molecular FormulaC10H14FNO3S
Molecular Weight247.29 g/mol
Exact Mass247.07
IUPAC NameN-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCC(C)CS(=O)(=O)Nc1ccc(O)cc1F
InChIInChI=1S/C10H14FNO3S/c1-7(2)6-16(14,15)12-10-4-3-8(13)5-9(10)11/h3-5,7,12-13H,6H2,1-2H3
InChIKeyGJJAJGUKEOQWGC-UHFFFAOYSA-N
XLogP1.93
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide (CID 64786303) is N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide is CC(C)CS(=O)(=O)Nc1ccc(O)cc1F.
What is the InChIKey of N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is GJJAJGUKEOQWGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO3S/c1-7(2)6-16(14,15)12-10-4-3-8(13)5-9(10)11/h3-5,7,12-13H,6H2,1-2H3.
What are the key properties of N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide?
N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 247.29 g/mol, XLogP of 1.93, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-hydroxyphenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 64786303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).