2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid

C11H15NO7S2 — CID 61019383

IUPAC2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H15NO7S2/c1-20(16,17)6-2-5-12-21(18,19)8-3-4-10(13)9(7-8)11(14)15/h3-4,7,12-13H,2,5-6H2,1H3,(H,14,15)
InChIKeyYHCYPEBOHGQSGF-UHFFFAOYSA-N
MW337.38 g/mol
LogP-0.20
Rot. Bonds7

About 2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid

2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid (PubChem CID 61019383) has the molecular formula C11H15NO7S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid.

Molecular Properties

Compound Name2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
PubChem CID61019383
Molecular FormulaC11H15NO7S2
Molecular Weight337.38 g/mol
Exact Mass337.03
IUPAC Name2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
SMILESCS(=O)(=O)CCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1
InChIInChI=1S/C11H15NO7S2/c1-20(16,17)6-2-5-12-21(18,19)8-3-4-10(13)9(7-8)11(14)15/h3-4,7,12-13H,2,5-6H2,1H3,(H,14,15)
InChIKeyYHCYPEBOHGQSGF-UHFFFAOYSA-N
XLogP-0.20
TPSA137.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid
CID 61019508
2-hydroxy-5-(4-methylpentylsulfamoyl)benzoic acid
CID 60744951
2-hydroxy-5-[2-(methylsulfamoyl)ethylsulfamoyl]benzoic acid
CID 106335055
5-(2-aminoethylsulfamoyl)-2-hydroxybenzoic acid
CID 61403327
2-hydroxy-5-(3-propoxypropylsulfamoyl)benzoic acid
CID 82940283
2-hydroxy-5-(pent-3-ynylsulfamoyl)benzoic acid
CID 116642717
2-chloro-5-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 60920912
2-hydroxy-5-(2-methylpropylsulfamoyl)benzoic acid
CID 14490063
5-[[(3-carboxy-4-hydroxyphenyl)sulfonylamino]sulfamoyl]-2-hydroxybenzoic acid
CID 170854611
5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 107089953
5-(decylsulfamoyl)-2-methylbenzoic acid
CID 100820311

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid?
The IUPAC name of 2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid (CID 61019383) is 2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid.
What is the SMILES notation for 2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid?
The canonical SMILES for 2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid is CS(=O)(=O)CCCNS(=O)(=O)c1ccc(O)c(C(=O)O)c1.
What is the InChIKey of 2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid?
The InChIKey is YHCYPEBOHGQSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO7S2/c1-20(16,17)6-2-5-12-21(18,19)8-3-4-10(13)9(7-8)11(14)15/h3-4,7,12-13H,2,5-6H2,1H3,(H,14,15).
What are the key properties of 2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid?
2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid has a molecular weight of 337.38 g/mol, XLogP of -0.20, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-5-(3-methylsulfonylpropylsulfamoyl)benzoic acid is sourced from PubChem (CID 61019383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).