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

C15H17NO6S — CID 71094175

IUPAC8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
SMILESO=C(O)C1=CC2(CCC1S(=O)(=O)Nc1ccccc1)OCCO2
InChIInChI=1S/C15H17NO6S/c17-14(18)12-10-15(21-8-9-22-15)7-6-13(12)23(19,20)16-11-4-2-1-3-5-11/h1-5,10,13,16H,6-9H2,(H,17,18)
InChIKeyOLYFSDPELNQLDP-UHFFFAOYSA-N
MW339.37 g/mol
LogP1.34
Rot. Bonds4

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

8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid (PubChem CID 71094175) has the molecular formula C15H17NO6S and a molecular weight of 339.37 g/mol. Its IUPAC name is 8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid.

Molecular Properties

Compound Name8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
PubChem CID71094175
Molecular FormulaC15H17NO6S
Molecular Weight339.37 g/mol
Exact Mass339.08
IUPAC Name8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid
SMILESO=C(O)C1=CC2(CCC1S(=O)(=O)Nc1ccccc1)OCCO2
InChIInChI=1S/C15H17NO6S/c17-14(18)12-10-15(21-8-9-22-15)7-6-13(12)23(19,20)16-11-4-2-1-3-5-11/h1-5,10,13,16H,6-9H2,(H,17,18)
InChIKeyOLYFSDPELNQLDP-UHFFFAOYSA-N
XLogP1.34
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid?
The IUPAC name of 8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid (CID 71094175) is 8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid.
What is the SMILES notation for 8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid?
The canonical SMILES for 8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid is O=C(O)C1=CC2(CCC1S(=O)(=O)Nc1ccccc1)OCCO2.
What is the InChIKey of 8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid?
The InChIKey is OLYFSDPELNQLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO6S/c17-14(18)12-10-15(21-8-9-22-15)7-6-13(12)23(19,20)16-11-4-2-1-3-5-11/h1-5,10,13,16H,6-9H2,(H,17,18).
What are the key properties of 8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid?
8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid has a molecular weight of 339.37 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(phenylsulfamoyl)-1,4-dioxaspiro[4.5]dec-6-ene-7-carboxylic acid is sourced from PubChem (CID 71094175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).