2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid

C12H13ClFNO5S — CID 146092673

IUPAC2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cc(F)ccc2Cl)CCOC1
InChIInChI=1S/C12H13ClFNO5S/c13-9-2-1-8(14)5-10(9)21(18,19)15-12(6-11(16)17)3-4-20-7-12/h1-2,5,15H,3-4,6-7H2,(H,16,17)
InChIKeyLYDOGKPYGRLJBA-UHFFFAOYSA-N
MW337.76 g/mol
LogP1.39
Rot. Bonds5

About 2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid

2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid (PubChem CID 146092673) has the molecular formula C12H13ClFNO5S and a molecular weight of 337.76 g/mol. Its IUPAC name is 2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid
PubChem CID146092673
Molecular FormulaC12H13ClFNO5S
Molecular Weight337.76 g/mol
Exact Mass337.02
IUPAC Name2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid
SMILESO=C(O)CC1(NS(=O)(=O)c2cc(F)ccc2Cl)CCOC1
InChIInChI=1S/C12H13ClFNO5S/c13-9-2-1-8(14)5-10(9)21(18,19)15-12(6-11(16)17)3-4-20-7-12/h1-2,5,15H,3-4,6-7H2,(H,16,17)
InChIKeyLYDOGKPYGRLJBA-UHFFFAOYSA-N
XLogP1.39
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid?
The IUPAC name of 2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid (CID 146092673) is 2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid.
What is the SMILES notation for 2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid?
The canonical SMILES for 2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid is O=C(O)CC1(NS(=O)(=O)c2cc(F)ccc2Cl)CCOC1.
What is the InChIKey of 2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid?
The InChIKey is LYDOGKPYGRLJBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClFNO5S/c13-9-2-1-8(14)5-10(9)21(18,19)15-12(6-11(16)17)3-4-20-7-12/h1-2,5,15H,3-4,6-7H2,(H,16,17).
What are the key properties of 2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid?
2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid has a molecular weight of 337.76 g/mol, XLogP of 1.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chloro-5-fluorophenyl)sulfonylamino]oxolan-3-yl]acetic acid is sourced from PubChem (CID 146092673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).