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

C11H11ClFNO5S — CID 66239293

IUPAC4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFNO5S/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)
InChIKeyDFNBBSRNPRUPLW-UHFFFAOYSA-N
MW323.73 g/mol
LogP0.86
Rot. Bonds4

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

4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid (PubChem CID 66239293) has the molecular formula C11H11ClFNO5S and a molecular weight of 323.73 g/mol. Its IUPAC name is 4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid.

Molecular Properties

Compound Name4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
PubChem CID66239293
Molecular FormulaC11H11ClFNO5S
Molecular Weight323.73 g/mol
Exact Mass323.00
IUPAC Name4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
SMILESO=C(O)C1COCC1NS(=O)(=O)c1ccc(Cl)cc1F
InChIInChI=1S/C11H11ClFNO5S/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)
InChIKeyDFNBBSRNPRUPLW-UHFFFAOYSA-N
XLogP0.86
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.73
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-bromo-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 116527392
4-[(5-chloro-2-cyanophenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66239487
4-[(2,5-dimethylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66240671
3-[(4-chloro-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 63042577
4-[(4-cyano-2-methylphenyl)sulfonylamino]oxolane-3-carboxylic acid
CID 106996515
4-[(5-fluoro-3-pyridinyl)sulfonylamino]oxolane-3-carboxylic acid
CID 66240680
2-[(2,4-difluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 64818000
4-[(2,5-dichlorobenzoyl)amino]oxolane-3-carboxylic acid
CID 66221387
2-[(4-bromo-2-fluorophenyl)sulfonylamino]cyclohexane-1-carboxylic acid
CID 116527379
4-[(5-methyl-1H-pyrazol-4-yl)sulfonylamino]oxolane-3-carboxylic acid
CID 66241459
4-(1H-pyrazol-5-ylsulfonylamino)oxolane-3-carboxylic acid
CID 102690864
(3S,4R)-4-[(4-fluorophenyl)methylsulfonylamino]oxolane-3-carboxylic acid
CID 167938884

Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The IUPAC name of 4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid (CID 66239293) is 4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid.
What is the SMILES notation for 4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The canonical SMILES for 4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid is O=C(O)C1COCC1NS(=O)(=O)c1ccc(Cl)cc1F.
What is the InChIKey of 4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
The InChIKey is DFNBBSRNPRUPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClFNO5S/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-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid?
4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid has a molecular weight of 323.73 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-fluorophenyl)sulfonylamino]oxolane-3-carboxylic acid is sourced from PubChem (CID 66239293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).