4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid

C11H11BrFNO5S — CID 116527392

IUPAC4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFNO5S/c12-6-1-2-10(8(13)3-6)20(17,18)14-9-5-19-4-7(9)11(15)16/h1-3,7,9,14H,4-5H2,(H,15,16)
InChIKeyNHALFSIGRSWHRT-UHFFFAOYSA-N
MW368.18 g/mol
LogP0.97
Rot. Bonds4

About 4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid

4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 116527392) has the molecular formula C11H11BrFNO5S and a molecular weight of 368.18 g/mol. Its IUPAC name is 4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID116527392
Molecular FormulaC11H11BrFNO5S
Molecular Weight368.18 g/mol
Exact Mass366.95
IUPAC Name4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C11H11BrFNO5S/c12-6-1-2-10(8(13)3-6)20(17,18)14-9-5-19-4-7(9)11(15)16/h1-3,7,9,14H,4-5H2,(H,15,16)
InChIKeyNHALFSIGRSWHRT-UHFFFAOYSA-N
XLogP0.97
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.18
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66239293
2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 116527379
4-bromo-2-fluoro-N-(2-methylcyclopropyl)benzenesulfonamide
CID 116528571
4-bromo-2-fluoro-N-(2-hydroxycyclohexyl)benzenesulfonamide
CID 116527714
4-[(5-bromo-2-fluorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66223102
4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66240671
4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66239487
4-[(4-cyano-2-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 106996515
4-bromo-2-fluoro-N-(2-methylcyclopentyl)benzenesulfonamide
CID 116528616
4-[(5-fluoro-3-pyridinyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66240680
2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818000
4-bromo-N-cyclooctyl-2-fluorobenzenesulfonamide
CID 116528049

Frequently Asked Questions

What is the IUPAC name of 4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid (CID 116527392) is 4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid is O=C(O)C1COCC1NS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is NHALFSIGRSWHRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrFNO5S/c12-6-1-2-10(8(13)3-6)20(17,18)14-9-5-19-4-7(9)11(15)16/h1-3,7,9,14H,4-5H2,(H,15,16).
What are the key properties of 4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 368.18 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 116527392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).