5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide

C11H14FNO4S — CID 62104424

IUPAC5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1OCC1CCOC1
InChIInChI=1S/C11H14FNO4S/c12-9-1-2-10(11(5-9)18(13,14)15)17-7-8-3-4-16-6-8/h1-2,5,8H,3-4,6-7H2,(H2,13,14,15)
InChIKeyVFECUSMUJIUQGY-UHFFFAOYSA-N
MW275.30 g/mol
LogP0.89
Rot. Bonds4

About 5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide

5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide (PubChem CID 62104424) has the molecular formula C11H14FNO4S and a molecular weight of 275.30 g/mol. Its IUPAC name is 5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
PubChem CID62104424
Molecular FormulaC11H14FNO4S
Molecular Weight275.30 g/mol
Exact Mass275.06
IUPAC Name5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(F)ccc1OCC1CCOC1
InChIInChI=1S/C11H14FNO4S/c12-9-1-2-10(11(5-9)18(13,14)15)17-7-8-3-4-16-6-8/h1-2,5,8H,3-4,6-7H2,(H2,13,14,15)
InChIKeyVFECUSMUJIUQGY-UHFFFAOYSA-N
XLogP0.89
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-fluoro-2-[[(3R)-oxolan-3-yl]methoxy]phenyl]boronic acid
CID 99773305
4-(oxan-4-ylmethoxy)-3-sulfamoylbenzoic acid
CID 62386977
1-[4-fluoro-2-(oxolan-3-ylmethoxy)phenyl]ethanone
CID 63067473
3-[(2-fluorophenoxy)methyl]oxolane
CID 60773526
N-[[5-fluoro-2-(oxolan-3-ylmethoxy)phenyl]methyl]ethanamine
CID 107695487
2-(3,3-dimethylbutoxy)-5-fluorobenzenesulfonamide
CID 62105180
3-[(2,4-dibromophenoxy)methyl]oxolane
CID 91641548
5-fluoro-2-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 82915954
5-fluoro-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113508
N-(3-aminopropyl)-5-chloro-2-(oxolan-3-ylmethoxy)benzenesulfonamide;hydrochloride
CID 120706793
[3-fluoro-4-(oxolan-3-ylmethoxy)phenyl]methanol
CID 107690615
4-(oxolan-3-ylmethoxy)-3-(trifluoromethyl)benzaldehyde
CID 63320565

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide (CID 62104424) is 5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(F)ccc1OCC1CCOC1.
What is the InChIKey of 5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide?
The InChIKey is VFECUSMUJIUQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S/c12-9-1-2-10(11(5-9)18(13,14)15)17-7-8-3-4-16-6-8/h1-2,5,8H,3-4,6-7H2,(H2,13,14,15).
What are the key properties of 5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide?
5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide has a molecular weight of 275.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(oxolan-3-ylmethoxy)benzenesulfonamide is sourced from PubChem (CID 62104424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).