2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride

C11H14FNO5S2 — CID 116814305

IUPAC2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
SMILESO=S(=O)(CC1CCCO1)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C11H14FNO5S2/c12-20(16,17)11-6-2-1-5-10(11)13-19(14,15)8-9-4-3-7-18-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyZFVWXWVOZZNVDB-UHFFFAOYSA-N
MW323.37 g/mol
LogP1.27
Rot. Bonds5

About 2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride

2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride (PubChem CID 116814305) has the molecular formula C11H14FNO5S2 and a molecular weight of 323.37 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride.

Molecular Properties

Compound Name2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
PubChem CID116814305
Molecular FormulaC11H14FNO5S2
Molecular Weight323.37 g/mol
Exact Mass323.03
IUPAC Name2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride
SMILESO=S(=O)(CC1CCCO1)Nc1ccccc1S(=O)(=O)F
InChIInChI=1S/C11H14FNO5S2/c12-20(16,17)11-6-2-1-5-10(11)13-19(14,15)8-9-4-3-7-18-9/h1-2,5-6,9,13H,3-4,7-8H2
InChIKeyZFVWXWVOZZNVDB-UHFFFAOYSA-N
XLogP1.27
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.37
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(oxolan-2-ylmethylsulfonylamino)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-(bromomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 113271470
2-methyl-3-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247225
N-[2-(methylaminomethyl)phenyl]-1-(oxolan-2-yl)methanesulfonamide
CID 63247176
2-bromo-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 154766964
N-(4-amino-2-chlorophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63246560
N-(2-hydroxy-4-methylphenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 63247039
N-(2-chloro-4-iodophenyl)-1-(oxolan-2-yl)methanesulfonamide
CID 113238115
4,5-difluoro-2-(oxolan-2-ylmethylsulfonylamino)benzamide
CID 127266011
4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247383
N-[2-(oxolan-2-ylmethylamino)phenyl]methanesulfonamide
CID 82835843
4-chloro-3-(oxolan-2-ylmethylsulfonylamino)benzoic acid
CID 63246612
3-chloro-4-(oxolan-2-ylmethylsulfonylamino)benzenesulfonamide
CID 63247341

Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride?
The IUPAC name of 2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride (CID 116814305) is 2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride.
What is the SMILES notation for 2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride?
The canonical SMILES for 2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride is O=S(=O)(CC1CCCO1)Nc1ccccc1S(=O)(=O)F.
What is the InChIKey of 2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride?
The InChIKey is ZFVWXWVOZZNVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO5S2/c12-20(16,17)11-6-2-1-5-10(11)13-19(14,15)8-9-4-3-7-18-9/h1-2,5-6,9,13H,3-4,7-8H2.
What are the key properties of 2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride?
2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride has a molecular weight of 323.37 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethylsulfonylamino)benzenesulfonyl fluoride is sourced from PubChem (CID 116814305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).