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

C12H13ClFNO5S — CID 115291997

IUPAC4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cccc(Cl)c2F)CCOCC1
InChIInChI=1S/C12H13ClFNO5S/c13-8-2-1-3-9(10(8)14)21(18,19)15-12(11(16)17)4-6-20-7-5-12/h1-3,15H,4-7H2,(H,16,17)
InChIKeyNIPRAJBAQZOLNQ-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.39
Rot. Bonds4

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

4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid (PubChem CID 115291997) has the molecular formula C12H13ClFNO5S and a molecular weight of 337.76 g/mol. Its IUPAC name is 4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid.

Molecular Properties

Compound Name4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid
PubChem CID115291997
Molecular FormulaC12H13ClFNO5S
Molecular Weight337.76 g/mol
Exact Mass337.02
IUPAC Name4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid
SMILESO=C(O)C1(NS(=O)(=O)c2cccc(Cl)c2F)CCOCC1
InChIInChI=1S/C12H13ClFNO5S/c13-8-2-1-3-9(10(8)14)21(18,19)15-12(11(16)17)4-6-20-7-5-12/h1-3,15H,4-7H2,(H,16,17)
InChIKeyNIPRAJBAQZOLNQ-UHFFFAOYSA-N
XLogP1.39
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.76
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-[(3-fluoro-2-methylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 167793627
4-[(2-bromo-4-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291981
1-[(2-chloro-4-fluorophenyl)sulfonylamino]cyclopentane-1-carboxylic acid
CID 43361609
3-chloro-N-[4-(hydroxymethyl)oxan-4-yl]-2-methylbenzenesulfonamide
CID 106299153
4-(3-chloroanilino)oxane-4-carboxylic acid
CID 60990859
(2R)-2-[(3-chloro-2-fluorophenyl)sulfonylamino]propanoic acid
CID 54991248
4-[(3,4-dimethylphenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291935
4-[(4-cyanophenyl)sulfonylamino]oxane-4-carboxylic acid
CID 115291922
3-(2-chloroanilino)oxolane-3-carboxylic acid
CID 63333124
1-(naphthalen-1-ylsulfonylamino)cyclobutane-1-carboxylic acid
CID 114795458
1-[(2-bromophenyl)sulfonylamino]cyclobutane-1-carboxylic acid
CID 71246784
1-[(3-chloro-2-fluorobenzoyl)amino]cyclopropane-1-carboxylic acid
CID 81266250

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid?
The IUPAC name of 4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid (CID 115291997) is 4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid.
What is the SMILES notation for 4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid?
The canonical SMILES for 4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid is O=C(O)C1(NS(=O)(=O)c2cccc(Cl)c2F)CCOCC1.
What is the InChIKey of 4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid?
The InChIKey is NIPRAJBAQZOLNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO5S/c13-8-2-1-3-9(10(8)14)21(18,19)15-12(11(16)17)4-6-20-7-5-12/h1-3,15H,4-7H2,(H,16,17).
What are the key properties of 4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid?
4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid has a molecular weight of 337.76 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-2-fluorophenyl)sulfonylamino]oxane-4-carboxylic acid is sourced from PubChem (CID 115291997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).