4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride

C11H14FNO5S2 — CID 114958181

IUPAC4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(S(=O)(=O)NC2CCOCC2)cc1
InChIInChI=1S/C11H14FNO5S2/c12-19(14,15)10-1-3-11(4-2-10)20(16,17)13-9-5-7-18-8-6-9/h1-4,9,13H,5-8H2
InChIKeyXIRXSAXHQMIUBE-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.80
Rot. Bonds4

About 4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride

4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride (PubChem CID 114958181) has the molecular formula C11H14FNO5S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
PubChem CID114958181
Molecular FormulaC11H14FNO5S2
Molecular Weight323.37 g/mol
Exact Mass323.03
IUPAC Name4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(S(=O)(=O)NC2CCOCC2)cc1
InChIInChI=1S/C11H14FNO5S2/c12-19(14,15)10-1-3-11(4-2-10)20(16,17)13-9-5-7-18-8-6-9/h1-4,9,13H,5-8H2
InChIKeyXIRXSAXHQMIUBE-UHFFFAOYSA-N
XLogP0.80
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-butoxypropyl)benzenesulfonamide
CID 2163994
Benzene-1,4-disulfonic acid 1-[(2,2-dimethyl-tetrahydro-pyran-4-yl)-amide] 4-(isobutyl-amide)
CID 3226736
Benzene-1,4-disulfonic acid 1-dimethylamide 4-[(2,2-dimethyl-tetrahydro-pyran-4-yl)-amide]
CID 3226739
4-Fluoro-N-(tetrahydro-2H-pyran-4-YL)benzenesulfonamide
CID 43610070
2-fluoro-N-(oxan-4-yl)benzenesulfonamide
CID 43610076
2-fluoro-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
CID 43610077
4-fluoro-N-(oxan-3-yl)benzenesulfonamide
CID 55189326
1-N-(2-ethoxyethyl)-2-fluorobenzene-1,4-disulfonamide
CID 61222245
2-fluoro-1-N-(oxan-4-yl)benzene-1,4-disulfonamide
CID 61222421
2-fluoro-1-N-(1-methoxypropan-2-yl)benzene-1,4-disulfonamide
CID 61222596
2-fluoro-1-N-(3-methoxypropyl)benzene-1,4-disulfonamide
CID 61223894
1-N-(1-ethoxypropan-2-yl)-2-fluorobenzene-1,4-disulfonamide
CID 61578942

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride?
The IUPAC name of 4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride (CID 114958181) is 4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(S(=O)(=O)NC2CCOCC2)cc1.
What is the InChIKey of 4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride?
The InChIKey is XIRXSAXHQMIUBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5S2/c12-19(14,15)10-1-3-11(4-2-10)20(16,17)13-9-5-7-18-8-6-9/h1-4,9,13H,5-8H2.
What are the key properties of 4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride?
4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride has a molecular weight of 323.37 g/mol, XLogP of 0.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride is sourced from PubChem (CID 114958181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).