8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid

C15H15F2NO6S — CID 123787823

IUPAC8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
SMILESO=C(O)C1=CC2(CCC1S(=O)(=O)Nc1c(F)cccc1F)OCCO2
InChIInChI=1S/C15H15F2NO6S/c16-10-2-1-3-11(17)13(10)18-25(21,22)12-4-5-15(23-6-7-24-15)8-9(12)14(19)20/h1-3,8,12,18H,4-7H2,(H,19,20)
InChIKeyPOPDGLBRNSSQPL-UHFFFAOYSA-N
MW375.35 g/mol
LogP1.62
Rot. Bonds4

About 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid

8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid (PubChem CID 123787823) has the molecular formula C15H15F2NO6S and a molecular weight of 375.35 g/mol. Its IUPAC name is 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid.

Molecular Properties

Compound Name8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
PubChem CID123787823
Molecular FormulaC15H15F2NO6S
Molecular Weight375.35 g/mol
Exact Mass375.06
IUPAC Name8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
SMILESO=C(O)C1=CC2(CCC1S(=O)(=O)Nc1c(F)cccc1F)OCCO2
InChIInChI=1S/C15H15F2NO6S/c16-10-2-1-3-11(17)13(10)18-25(21,22)12-4-5-15(23-6-7-24-15)8-9(12)14(19)20/h1-3,8,12,18H,4-7H2,(H,19,20)
InChIKeyPOPDGLBRNSSQPL-UHFFFAOYSA-N
XLogP1.62
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid with MolForge

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Related Compounds

8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
CID 71094175
8-[(2-fluoro-5-methylphenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
CID 123758899
8-[(2-chloro-6-methylphenyl)sulfamoyl]-2,3-bis(hydroxymethyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
CID 71080281
9-[(2-chloro-4-fluorophenyl)sulfamoyl]-1,5-dithiaspiro[5.5]undec-10-ene-10-carboxylic acid
CID 89267732
1-[(2,6-difluorophenyl)sulfamoyl]piperidine-3-carboxylic acid
CID 60859885
N-(2,6-difluorophenyl)-2-morpholin-4-yl-2-sulfanylideneacetamide
CID 59738066
2-(cyclopropylsulfonyloxycarbonylamino)-6-fluorobenzoic acid
CID 174679647
2-(cyclopentylsulfonylamino)-6-fluorobenzoic acid
CID 113230561
2,3-bis(hydroxymethyl)-8-[(7-methyl-2,3-dihydro-1H-inden-1-yl)sulfonyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
CID 122669013
N-(2,6-difluorophenyl)-1,1,1-trifluoromethanesulfonamide
CID 5314606
2-(cyclohexylsulfonylamino)-6-fluorobenzoic acid
CID 61066174
N-(2,6-difluorophenyl)-3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropanamide
CID 108950104

Frequently Asked Questions

What is the IUPAC name of 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid?
The IUPAC name of 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid (CID 123787823) is 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid.
What is the SMILES notation for 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid?
The canonical SMILES for 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid is O=C(O)C1=CC2(CCC1S(=O)(=O)Nc1c(F)cccc1F)OCCO2.
What is the InChIKey of 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid?
The InChIKey is POPDGLBRNSSQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15F2NO6S/c16-10-2-1-3-11(17)13(10)18-25(21,22)12-4-5-15(23-6-7-24-15)8-9(12)14(19)20/h1-3,8,12,18H,4-7H2,(H,19,20).
What are the key properties of 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid?
8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid has a molecular weight of 375.35 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2,6-difluorophenyl)sulfamoyl]-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid is sourced from PubChem (CID 123787823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).