4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride

C12H16FNO5S2 — CID 114958224

IUPAC4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(S(=O)(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C12H16FNO5S2/c13-20(15,16)11-3-5-12(6-4-11)21(17,18)14-8-7-10-2-1-9-19-10/h3-6,10,14H,1-2,7-9H2
InChIKeyZEHMGIFMEREQCR-UHFFFAOYSA-N
MW337.39 g/mol
LogP1.19
Rot. Bonds6

About 4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride

4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride (PubChem CID 114958224) has the molecular formula C12H16FNO5S2 and a molecular weight of 337.39 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
PubChem CID114958224
Molecular FormulaC12H16FNO5S2
Molecular Weight337.39 g/mol
Exact Mass337.05
IUPAC Name4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1ccc(S(=O)(=O)NCCC2CCCO2)cc1
InChIInChI=1S/C12H16FNO5S2/c13-20(15,16)11-3-5-12(6-4-11)21(17,18)14-8-7-10-2-1-9-19-10/h3-6,10,14H,1-2,7-9H2
InChIKeyZEHMGIFMEREQCR-UHFFFAOYSA-N
XLogP1.19
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.39
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[2-(oxolan-2-yl)ethylsulfamoyl]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

N-[2-(oxolan-2-yl)ethyl]-4-(propylamino)benzenesulfonamide
CID 62159061
4-cyano-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 60723752
2-[4-[2-(oxolan-2-yl)ethylsulfamoyl]phenyl]acetic acid
CID 61039961
ethyl 4-[2-[(2R)-oxolan-2-yl]ethylsulfamoyl]benzoate
CID 94814688
4-(2-cyclopentylethylsulfamoyl)benzenesulfonyl fluoride
CID 114958186
2-hydroxy-5-[2-(oxolan-2-yl)ethylsulfamoyl]benzoic acid
CID 60727298
4-bromo-3-methyl-N-[2-(oxan-2-yl)ethyl]benzenesulfonamide
CID 103990999
3-amino-4-nitro-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 82846881
2-amino-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 61125684
2-bromo-N-[2-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 51076370
N-[2-(oxolan-2-yl)ethyl]-1H-pyrazole-5-sulfonamide
CID 102692344
N-[3-(oxolan-2-ylmethoxy)propyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 24511255

Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride?
The IUPAC name of 4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride (CID 114958224) is 4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride.
What is the SMILES notation for 4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride?
The canonical SMILES for 4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride is O=S(=O)(F)c1ccc(S(=O)(=O)NCCC2CCCO2)cc1.
What is the InChIKey of 4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride?
The InChIKey is ZEHMGIFMEREQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO5S2/c13-20(15,16)11-3-5-12(6-4-11)21(17,18)14-8-7-10-2-1-9-19-10/h3-6,10,14H,1-2,7-9H2.
What are the key properties of 4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride?
4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride has a molecular weight of 337.39 g/mol, XLogP of 1.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)ethylsulfamoyl]benzenesulfonyl fluoride is sourced from PubChem (CID 114958224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).