2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid

C10H14N2O7S2 — CID 106335055

IUPAC2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H14N2O7S2/c1-11-20(16,17)5-4-12-21(18,19)7-2-3-9(13)8(6-7)10(14)15/h2-3,6,11-13H,4-5H2,1H3,(H,14,15)
InChIKeyMBTXLWXEUHSIIE-UHFFFAOYSA-N
MW338.36 g/mol
LogP-1.08
Rot. Bonds7

About 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid

2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid (PubChem CID 106335055) has the molecular formula C10H14N2O7S2 and a molecular weight of 338.36 g/mol. Its IUPAC name is 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
PubChem CID106335055
Molecular FormulaC10H14N2O7S2
Molecular Weight338.36 g/mol
Exact Mass338.02
IUPAC Name2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
SMILESCNS(=O)(=O)CCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C10H14N2O7S2/c1-11-20(16,17)5-4-12-21(18,19)7-2-3-9(13)8(6-7)10(14)15/h2-3,6,11-13H,4-5H2,1H3,(H,14,15)
InChIKeyMBTXLWXEUHSIIE-UHFFFAOYSA-N
XLogP-1.08
TPSA149.87 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 5-1.08
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019383
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
2-hydroxy-5-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642717
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
5-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]-2-hydroxybenzoic acid
CID 106168637
2-chloro-5-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 60920912
5-(2-bromoprop-2-enylsulfamoyl)-2-hydroxybenzoic acid
CID 113464976
2-hydroxy-5-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 8891748

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid?
The IUPAC name of 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid (CID 106335055) is 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid.
What is the SMILES notation for 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid?
The canonical SMILES for 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid is CNS(=O)(=O)CCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid?
The InChIKey is MBTXLWXEUHSIIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O7S2/c1-11-20(16,17)5-4-12-21(18,19)7-2-3-9(13)8(6-7)10(14)15/h2-3,6,11-13H,4-5H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid?
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid has a molecular weight of 338.36 g/mol, XLogP of -1.08, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid is sourced from PubChem (CID 106335055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).