5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide

C11H16FNO3S — CID 102919744

IUPAC5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C11H16FNO3S/c1-8(2)6-13-17(15,16)11-5-10(12)4-3-9(11)7-14/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyGBLQKHPCLAQHGN-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.25
Rot. Bonds5

About 5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide

5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide (PubChem CID 102919744) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
PubChem CID102919744
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide
SMILESCC(C)CNS(=O)(=O)c1cc(F)ccc1CO
InChIInChI=1S/C11H16FNO3S/c1-8(2)6-13-17(15,16)11-5-10(12)4-3-9(11)7-14/h3-5,8,13-14H,6-7H2,1-2H3
InChIKeyGBLQKHPCLAQHGN-UHFFFAOYSA-N
XLogP1.25
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-2-(hydroxymethyl)-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102919985
2,5-difluoro-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 83030725
2-(ethylaminomethyl)-5-fluoro-N-(2-methoxypropyl)benzenesulfonamide
CID 102921100
5-fluoro-2-(methylaminomethyl)-N-(2-methylbutyl)benzenesulfonamide
CID 102920739
5-fluoro-2-(hydroxymethyl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]benzenesulfonamide
CID 102919819
5-fluoro-N-(2-methylbutyl)-2-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 102920741
5-fluoro-2-(hydroxymethyl)-N-(1,3-thiazol-5-ylmethyl)benzenesulfonamide
CID 102919966
4-(hydroxymethyl)-3-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 112737375
N-(3,3-dimethylbutan-2-yl)-5-fluoro-2-(hydroxymethyl)-N-methylbenzenesulfonamide
CID 102919803
5-fluoro-N-(2-methoxypropyl)-2-(propylaminomethyl)benzenesulfonamide
CID 102921102
5-fluoro-2-(hydroxymethyl)-N-methyl-N-pentan-3-ylbenzenesulfonamide
CID 102919721
3-[(2,5-difluorophenyl)sulfonylamino]-2-hydroxypropanamide
CID 107258385

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide (CID 102919744) is 5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide is CC(C)CNS(=O)(=O)c1cc(F)ccc1CO.
What is the InChIKey of 5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?
The InChIKey is GBLQKHPCLAQHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-8(2)6-13-17(15,16)11-5-10(12)4-3-9(11)7-14/h3-5,8,13-14H,6-7H2,1-2H3.
What are the key properties of 5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide?
5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(hydroxymethyl)-N-(2-methylpropyl)benzenesulfonamide is sourced from PubChem (CID 102919744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).