2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid

C10H12ClNO6S — CID 166295773

IUPAC2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)C1CN(S(=O)(=O)c2ccoc2Cl)C1
InChIInChI=1S/C10H12ClNO6S/c1-17-8(10(13)14)6-4-12(5-6)19(15,16)7-2-3-18-9(7)11/h2-3,6,8H,4-5H2,1H3,(H,13,14)
InChIKeyJTCNOWHQAWQJGM-UHFFFAOYSA-N
MW309.73 g/mol
LogP0.65
Rot. Bonds5

About 2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid

2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid (PubChem CID 166295773) has the molecular formula C10H12ClNO6S and a molecular weight of 309.73 g/mol. Its IUPAC name is 2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid.

Molecular Properties

Compound Name2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid
PubChem CID166295773
Molecular FormulaC10H12ClNO6S
Molecular Weight309.73 g/mol
Exact Mass309.01
IUPAC Name2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid
SMILESCOC(C(=O)O)C1CN(S(=O)(=O)c2ccoc2Cl)C1
InChIInChI=1S/C10H12ClNO6S/c1-17-8(10(13)14)6-4-12(5-6)19(15,16)7-2-3-18-9(7)11/h2-3,6,8H,4-5H2,1H3,(H,13,14)
InChIKeyJTCNOWHQAWQJGM-UHFFFAOYSA-N
XLogP0.65
TPSA97.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid?
The IUPAC name of 2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid (CID 166295773) is 2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid.
What is the SMILES notation for 2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid?
The canonical SMILES for 2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid is COC(C(=O)O)C1CN(S(=O)(=O)c2ccoc2Cl)C1.
What is the InChIKey of 2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid?
The InChIKey is JTCNOWHQAWQJGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO6S/c1-17-8(10(13)14)6-4-12(5-6)19(15,16)7-2-3-18-9(7)11/h2-3,6,8H,4-5H2,1H3,(H,13,14).
What are the key properties of 2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid?
2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid has a molecular weight of 309.73 g/mol, XLogP of 0.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-chlorofuran-3-yl)sulfonylazetidin-3-yl]-2-methoxyacetic acid is sourced from PubChem (CID 166295773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).