4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride

C12H16FNO5S2 — CID 114958320

IUPAC4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(S(=O)(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C12H16FNO5S2/c13-20(15,16)11-1-3-12(4-2-11)21(17,18)14-9-10-5-7-19-8-6-10/h1-4,10,14H,5-9H2
InChIKeyWQLUPCITZCMSPY-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.05
Rot. Bonds5

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

4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride (PubChem CID 114958320) has the molecular formula C12H16FNO5S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride
PubChem CID114958320
Molecular FormulaC12H16FNO5S2
Molecular Weight337.39 g/mol
Exact Mass337.05
IUPAC Name4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(S(=O)(=O)NCC2CCOCC2)cc1
InChIInChI=1S/C12H16FNO5S2/c13-20(15,16)11-1-3-12(4-2-11)21(17,18)14-9-10-5-7-19-8-6-10/h1-4,10,14H,5-9H2
InChIKeyWQLUPCITZCMSPY-UHFFFAOYSA-N
XLogP1.05
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(bromomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 65481629
N-(oxan-4-ylmethyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 55226077
4-amino-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 61114420
N-(oxan-4-ylmethyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110736429
4-fluoro-3-(methylaminomethyl)-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 106063003
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109566
N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 47203502
3-amino-4-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 63725059
4-methoxy-3-methyl-N-(oxan-4-ylmethyl)benzenesulfonamide
CID 110736435
N-(oxolan-3-ylmethyl)-4-(propylamino)benzenesulfonamide
CID 62825077
4-bromo-3-fluoro-N-(oxolan-3-ylmethyl)benzenesulfonamide
CID 103697478
3-methyl-N-(oxan-4-ylmethyl)-2-oxo-1,3-benzoxazole-6-sulfonamide
CID 110736456

Frequently Asked Questions

What is the IUPAC name of 4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride?
The IUPAC name of 4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride (CID 114958320) is 4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride?
The canonical SMILES for 4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(S(=O)(=O)NCC2CCOCC2)cc1.
What is the InChIKey of 4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride?
The InChIKey is WQLUPCITZCMSPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S2/c13-20(15,16)11-1-3-12(4-2-11)21(17,18)14-9-10-5-7-19-8-6-10/h1-4,10,14H,5-9H2.
What are the key properties of 4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride?
4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride has a molecular weight of 337.39 g/mol, XLogP of 1.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(oxan-4-ylmethylsulfamoyl)benzenesulfonyl fluoride is sourced from PubChem (CID 114958320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).