3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride

C11H14FNO5S2 — CID 114958182

IUPAC3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cccc(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C11H14FNO5S2/c12-19(14,15)10-2-1-3-11(8-10)20(16,17)13-9-4-6-18-7-5-9/h1-3,8-9,13H,4-7H2
InChIKeyATLODUOZSVFVAM-UHFFFAOYSA-N
MW323.37 g/mol
LogP0.80
Rot. Bonds4

About 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride

3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride (PubChem CID 114958182) has the molecular formula C11H14FNO5S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
PubChem CID114958182
Molecular FormulaC11H14FNO5S2
Molecular Weight323.37 g/mol
Exact Mass323.03
IUPAC Name3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cccc(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C11H14FNO5S2/c12-19(14,15)10-2-1-3-11(8-10)20(16,17)13-9-4-6-18-7-5-9/h1-3,8-9,13H,4-7H2
InChIKeyATLODUOZSVFVAM-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

Analyze 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-N-(oxan-4-yl)benzene-1,3-disulfonamide
CID 43610535
3-amino-N-(oxan-4-yl)benzenesulfonamide
CID 43609614
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
3-[(3-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958166
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3-N-cyclopropyl-1-N-[4-(trifluoromethyl)cyclohexyl]benzene-1,3-disulfonamide
CID 78842483
N-cyclooctyl-3-fluorobenzenesulfonamide
CID 26948335
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700
3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride
CID 114958508
3-chloro-4-methyl-N-(oxan-4-yl)benzenesulfonamide
CID 110726898
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride?
The IUPAC name of 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride (CID 114958182) is 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride.
What is the SMILES notation for 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride?
The canonical SMILES for 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride is O=S(=O)(F)c1cccc(S(=O)(=O)NC2CCOCC2)c1.
What is the InChIKey of 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride?
The InChIKey is ATLODUOZSVFVAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5S2/c12-19(14,15)10-2-1-3-11(8-10)20(16,17)13-9-4-6-18-7-5-9/h1-3,8-9,13H,4-7H2.
What are the key properties of 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride?
3-(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 3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride is sourced from PubChem (CID 114958182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).