2-carboxy-4-sulfamoylnaphthalen-1-olate

C11H8NO5S- — CID 54706650

IUPAC2-carboxy-4-sulfamoylnaphthalen-1-olate
SMILESNS(=O)(=O)c1cc(C(=O)O)c([O-])c2ccccc12
InChIInChI=1S/C11H9NO5S/c12-18(16,17)9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)(H2,12,16,17)/p-1
InChIKeyOTDVKOVLSPJORY-UHFFFAOYSA-M
MW266.25 g/mol
LogP0.26
Rot. Bonds2

About 2-carboxy-4-sulfamoylnaphthalen-1-olate

2-carboxy-4-sulfamoylnaphthalen-1-olate (PubChem CID 54706650) has the molecular formula C11H8NO5S- and a molecular weight of 266.25 g/mol. Its IUPAC name is 2-carboxy-4-sulfamoylnaphthalen-1-olate.

Molecular Properties

Compound Name2-carboxy-4-sulfamoylnaphthalen-1-olate
PubChem CID54706650
Molecular FormulaC11H8NO5S-
Molecular Weight266.25 g/mol
Exact Mass266.01
IUPAC Name2-carboxy-4-sulfamoylnaphthalen-1-olate
SMILESNS(=O)(=O)c1cc(C(=O)O)c([O-])c2ccccc12
InChIInChI=1S/C11H9NO5S/c12-18(16,17)9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)(H2,12,16,17)/p-1
InChIKeyOTDVKOVLSPJORY-UHFFFAOYSA-M
XLogP0.26
TPSA120.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.25
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

dipotassium bis(2-carboxy-4-hydroxynaphthalen-1-olate)
CID 178181364
2,4-disulfamoylbenzoic acid
CID 70122290
disodium bis(2-carboxy-4-hydroxy-6-methylnaphthalen-1-olate)
CID 178181369
CID 135853722
CID 135853722
1,4-dihydroxynaphthalene-2-sulfonamide
CID 91023096
zinc;bis(2-carboxynaphthalen-1-olate);tetrahydrate
CID 54706141
3-carboxy-1-(2-hydroxynaphthalen-1-yl)naphthalen-2-olate
CID 54721974
1-hydroxy-4-(phenylsulfamoyl)naphthalene-2-carboxylic acid
CID 126480790
2-[2-(2-sulfamoylphenyl)acetyl]benzoic acid
CID 152904860
dicesium;3-carboxy-1-[(3-carboxy-2-oxidonaphthalen-1-yl)methyl]naphthalen-2-olate
CID 54702486
2-diazonio-5-sulfamoylnaphthalen-1-olate
CID 19805275
1,4-dioxidonaphthalene-2-carboxylate
CID 3698499

Frequently Asked Questions

What is the IUPAC name of 2-carboxy-4-sulfamoylnaphthalen-1-olate?
The IUPAC name of 2-carboxy-4-sulfamoylnaphthalen-1-olate (CID 54706650) is 2-carboxy-4-sulfamoylnaphthalen-1-olate.
What is the SMILES notation for 2-carboxy-4-sulfamoylnaphthalen-1-olate?
The canonical SMILES for 2-carboxy-4-sulfamoylnaphthalen-1-olate is NS(=O)(=O)c1cc(C(=O)O)c([O-])c2ccccc12.
What is the InChIKey of 2-carboxy-4-sulfamoylnaphthalen-1-olate?
The InChIKey is OTDVKOVLSPJORY-UHFFFAOYSA-M. The full InChI is InChI=1S/C11H9NO5S/c12-18(16,17)9-5-8(11(14)15)10(13)7-4-2-1-3-6(7)9/h1-5,13H,(H,14,15)(H2,12,16,17)/p-1.
What are the key properties of 2-carboxy-4-sulfamoylnaphthalen-1-olate?
2-carboxy-4-sulfamoylnaphthalen-1-olate has a molecular weight of 266.25 g/mol, XLogP of 0.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-carboxy-4-sulfamoylnaphthalen-1-olate is sourced from PubChem (CID 54706650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).