2,4-disulfamoylbenzoic acid

C7H8N2O6S2 — CID 70122290

IUPAC2,4-disulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(C(=O)O)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H8N2O6S2/c8-16(12,13)4-1-2-5(7(10)11)6(3-4)17(9,14)15/h1-3H,(H,10,11)(H2,8,12,13)(H2,9,14,15)
InChIKeyFRERWPYJIUVOKA-UHFFFAOYSA-N
MW280.28 g/mol
LogP-1.32
Rot. Bonds3

About 2,4-disulfamoylbenzoic acid

2,4-disulfamoylbenzoic acid (PubChem CID 70122290) has the molecular formula C7H8N2O6S2 and a molecular weight of 280.28 g/mol. Its IUPAC name is 2,4-disulfamoylbenzoic acid.

Molecular Properties

Compound Name2,4-disulfamoylbenzoic acid
PubChem CID70122290
Molecular FormulaC7H8N2O6S2
Molecular Weight280.28 g/mol
Exact Mass279.98
IUPAC Name2,4-disulfamoylbenzoic acid
SMILESNS(=O)(=O)c1ccc(C(=O)O)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H8N2O6S2/c8-16(12,13)4-1-2-5(7(10)11)6(3-4)17(9,14)15/h1-3H,(H,10,11)(H2,8,12,13)(H2,9,14,15)
InChIKeyFRERWPYJIUVOKA-UHFFFAOYSA-N
XLogP-1.32
TPSA157.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.28
LogP ≤ 5-1.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-4-sulfamoylbenzoic acid
CID 68595259
4-ethyl-2-sulfamoylbenzoic acid
CID 174396253
sodium;2-chloro-5-sulfamoylbenzoic acid;hydride
CID 174663116
4-(trifluoromethyl)benzene-1,3-disulfonamide
CID 154218249
2-(prop-2-enylamino)-5-sulfamoylbenzoic acid
CID 43088442
2-phenylsulfanyl-5-sulfamoylbenzoic acid
CID 43217535
2-amino-5-chloro-4-sulfamoylbenzoic acid
CID 163729654
2-fluoro-5-(4-sulfamoylphenyl)benzoic acid
CID 110453860
2-carboxy-4-sulfamoylnaphthalen-1-olate
CID 54706650
2-(1,2-oxazol-3-ylmethylamino)-5-sulfamoylbenzoic acid
CID 81178457
6-sulfamoyl-1,3-benzodioxole-5-carboxylic acid
CID 18071334
4-[4-(3,4-dicarboxyphenyl)sulfonylphenyl]sulfonylphthalic acid
CID 13050202

Frequently Asked Questions

What is the IUPAC name of 2,4-disulfamoylbenzoic acid?
The IUPAC name of 2,4-disulfamoylbenzoic acid (CID 70122290) is 2,4-disulfamoylbenzoic acid.
What is the SMILES notation for 2,4-disulfamoylbenzoic acid?
The canonical SMILES for 2,4-disulfamoylbenzoic acid is NS(=O)(=O)c1ccc(C(=O)O)c(S(N)(=O)=O)c1.
What is the InChIKey of 2,4-disulfamoylbenzoic acid?
The InChIKey is FRERWPYJIUVOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O6S2/c8-16(12,13)4-1-2-5(7(10)11)6(3-4)17(9,14)15/h1-3H,(H,10,11)(H2,8,12,13)(H2,9,14,15).
What are the key properties of 2,4-disulfamoylbenzoic acid?
2,4-disulfamoylbenzoic acid has a molecular weight of 280.28 g/mol, XLogP of -1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-disulfamoylbenzoic acid is sourced from PubChem (CID 70122290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).