4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

C11H11FN2O4S — CID 81173742

IUPAC4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccon1)c1ccc(F)c(CO)c1
InChIInChI=1S/C11H11FN2O4S/c12-11-2-1-10(5-8(11)7-15)19(16,17)13-6-9-3-4-18-14-9/h1-5,13,15H,6-7H2
InChIKeyZPASUCAIOXWTKK-UHFFFAOYSA-N
MW286.28 g/mol
LogP0.78
Rot. Bonds5

About 4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide

4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (PubChem CID 81173742) has the molecular formula C11H11FN2O4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
PubChem CID81173742
Molecular FormulaC11H11FN2O4S
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccon1)c1ccc(F)c(CO)c1
InChIInChI=1S/C11H11FN2O4S/c12-11-2-1-10(5-8(11)7-15)19(16,17)13-6-9-3-4-18-14-9/h1-5,13,15H,6-7H2
InChIKeyZPASUCAIOXWTKK-UHFFFAOYSA-N
XLogP0.78
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-(1,2-oxazol-3-ylmethyl)pyrimidine-5-sulfonamide
CID 81176880
methyl 2-[4-(1,2-oxazol-3-ylmethylsulfamoyl)phenyl]acetate
CID 79481288
4-chloro-3-nitro-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81170213
4-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide
CID 81176602
4-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173428
N-(1,2-oxazol-3-ylmethyl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 81178108
4-fluoro-3-(hydroxymethyl)-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147125
3-chloro-4-(hydroxymethyl)-N-(1,2,4-oxadiazol-3-ylmethyl)benzenesulfonamide
CID 106410526
5-(hydroxymethyl)-4-methyl-N-(1,2-oxazol-3-ylmethyl)thiophene-2-sulfonamide
CID 81173589
N-[2-(5-bromothiophen-2-yl)ethyl]-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106044406
5-chloro-6-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)pyridine-3-sulfonamide
CID 81177707
4-fluoro-3-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132220

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide (CID 81173742) is 4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccon1)c1ccc(F)c(CO)c1.
What is the InChIKey of 4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
The InChIKey is ZPASUCAIOXWTKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4S/c12-11-2-1-10(5-8(11)7-15)19(16,17)13-6-9-3-4-18-14-9/h1-5,13,15H,6-7H2.
What are the key properties of 4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide?
4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide has a molecular weight of 286.28 g/mol, XLogP of 0.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-(hydroxymethyl)-N-(1,2-oxazol-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 81173742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).