3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid

C11H14ClNO6S — CID 167809062

IUPAC3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2ccoc2Cl)CCCOC1
InChIInChI=1S/C11H14ClNO6S/c12-9-8(2-5-19-9)20(16,17)13-6-11(10(14)15)3-1-4-18-7-11/h2,5,13H,1,3-4,6-7H2,(H,14,15)
InChIKeyQYBLBTXUCGWGDQ-UHFFFAOYSA-N
MW323.75 g/mol
LogP1.09
Rot. Bonds5

About 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid

3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid (PubChem CID 167809062) has the molecular formula C11H14ClNO6S and a molecular weight of 323.75 g/mol. Its IUPAC name is 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid.

Molecular Properties

Compound Name3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid
PubChem CID167809062
Molecular FormulaC11H14ClNO6S
Molecular Weight323.75 g/mol
Exact Mass323.02
IUPAC Name3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid
SMILESO=C(O)C1(CNS(=O)(=O)c2ccoc2Cl)CCCOC1
InChIInChI=1S/C11H14ClNO6S/c12-9-8(2-5-19-9)20(16,17)13-6-11(10(14)15)3-1-4-18-7-11/h2,5,13H,1,3-4,6-7H2,(H,14,15)
InChIKeyQYBLBTXUCGWGDQ-UHFFFAOYSA-N
XLogP1.09
TPSA105.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.75
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid with MolForge

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Related Compounds

3-[(3,4-dichlorophenyl)methyl]oxane-3-carboxylic acid
CID 55150319
1-[[(2,5-dichlorothiophen-3-yl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433117
2-chloro-N-[[(3S,5R)-3-(hydroxymethyl)-4,5-dimethylmorpholin-3-yl]methyl]furan-3-sulfonamide
CID 146112944
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclopentane-1-carboxylic acid
CID 115433200
1-[[(4-bromo-2-chlorophenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445482
3-[[(4,4-difluoropiperidin-1-yl)sulfonylamino]methyl]oxane-3-carboxylic acid
CID 166264552
1-[[(2-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 113311040
1-[[(2-fluoro-5-methylphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445428
1-(benzenesulfonamidomethyl)cyclobutane-1-carboxylic acid
CID 113311051
3-[[(5-chloro-1-benzofuran-3-carbonyl)amino]methyl]oxane-3-carboxylic acid
CID 167793409
3-[[(5-tert-butyl-3-pyridinyl)methylamino]methyl]oxane-3-carboxylic acid
CID 166263819
1-[[(4-chloro-2-methoxyphenyl)sulfonylamino]methyl]cyclobutane-1-carboxylic acid
CID 115445500

Frequently Asked Questions

What is the IUPAC name of 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid?
The IUPAC name of 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid (CID 167809062) is 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid.
What is the SMILES notation for 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid?
The canonical SMILES for 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid is O=C(O)C1(CNS(=O)(=O)c2ccoc2Cl)CCCOC1.
What is the InChIKey of 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid?
The InChIKey is QYBLBTXUCGWGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO6S/c12-9-8(2-5-19-9)20(16,17)13-6-11(10(14)15)3-1-4-18-7-11/h2,5,13H,1,3-4,6-7H2,(H,14,15).
What are the key properties of 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid?
3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid has a molecular weight of 323.75 g/mol, XLogP of 1.09, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2-chlorofuran-3-yl)sulfonylamino]methyl]oxane-3-carboxylic acid is sourced from PubChem (CID 167809062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).