3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride

C12H16FNO5S2 — CID 114958508

IUPAC3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride
SMILESCC(NS(=O)(=O)c1cccc(S(=O)(=O)F)c1)C1CCOC1
InChIInChI=1S/C12H16FNO5S2/c1-9(10-5-6-19-8-10)14-21(17,18)12-4-2-3-11(7-12)20(13,15)16/h2-4,7,9-10,14H,5-6,8H2,1H3
InChIKeyIEIVFAJOKPYZBU-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.05
Rot. Bonds5

About 3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride

3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride (PubChem CID 114958508) has the molecular formula C12H16FNO5S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride
PubChem CID114958508
Molecular FormulaC12H16FNO5S2
Molecular Weight337.39 g/mol
Exact Mass337.05
IUPAC Name3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride
SMILESCC(NS(=O)(=O)c1cccc(S(=O)(=O)F)c1)C1CCOC1
InChIInChI=1S/C12H16FNO5S2/c1-9(10-5-6-19-8-10)14-21(17,18)12-4-2-3-11(7-12)20(13,15)16/h2-4,7,9-10,14H,5-6,8H2,1H3
InChIKeyIEIVFAJOKPYZBU-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

3-cyano-N-[1-(oxan-4-yl)ethyl]benzenesulfonamide
CID 103768645
4-bromo-2-fluoro-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 116528880
3-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650641
N-[1-(oxolan-3-yl)ethyl]naphthalene-1-sulfonamide
CID 115684208
3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958182
N-[1-(oxolan-3-yl)ethyl]-1H-pyrazole-4-sulfonamide
CID 115650610
N-(3,4-difluorophenyl)-2-fluoro-5-[1-(oxolan-3-yl)ethylsulfamoyl]benzamide
CID 123140267
3-N-(1-cyclobutylethyl)benzene-1,3-disulfonamide
CID 115767059
2-chloro-4-cyano-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 103989534
3-[1-(sulfamoylamino)ethyl]oxolane
CID 115650630
3-(cyclopropylmethylsulfamoyl)-N-[(1R)-1-[(3R)-oxolan-3-yl]ethyl]benzamide
CID 100624397
5-bromo-2-nitro-N-[1-(oxolan-3-yl)ethyl]benzenesulfonamide
CID 115650639

Frequently Asked Questions

What is the IUPAC name of 3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride (CID 114958508) is 3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride is CC(NS(=O)(=O)c1cccc(S(=O)(=O)F)c1)C1CCOC1.
What is the InChIKey of 3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride?
The InChIKey is IEIVFAJOKPYZBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S2/c1-9(10-5-6-19-8-10)14-21(17,18)12-4-2-3-11(7-12)20(13,15)16/h2-4,7,9-10,14H,5-6,8H2,1H3.
What are the key properties of 3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride?
3-[1-(oxolan-3-yl)ethylsulfamoyl]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 3-[1-(oxolan-3-yl)ethylsulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114958508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).