5-hydroxy-2-(methanesulfonamido)benzoic acid

C8H9NO5S — CID 61406346

IUPAC5-hydroxy-2-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C8H9NO5S/c1-15(13,14)9-7-3-2-5(10)4-6(7)8(11)12/h2-4,9-10H,1H3,(H,11,12)
InChIKeyBHMXDAMTDRRCKQ-UHFFFAOYSA-N
MW231.23 g/mol
LogP0.46
Rot. Bonds3

About 5-hydroxy-2-(methanesulfonamido)benzoic acid

5-hydroxy-2-(methanesulfonamido)benzoic acid (PubChem CID 61406346) has the molecular formula C8H9NO5S and a molecular weight of 231.23 g/mol. Its IUPAC name is 5-hydroxy-2-(methanesulfonamido)benzoic acid.

Molecular Properties

Compound Name5-hydroxy-2-(methanesulfonamido)benzoic acid
PubChem CID61406346
Molecular FormulaC8H9NO5S
Molecular Weight231.23 g/mol
Exact Mass231.02
IUPAC Name5-hydroxy-2-(methanesulfonamido)benzoic acid
SMILESCS(=O)(=O)Nc1ccc(O)cc1C(=O)O
InChIInChI=1S/C8H9NO5S/c1-15(13,14)9-7-3-2-5(10)4-6(7)8(11)12/h2-4,9-10H,1H3,(H,11,12)
InChIKeyBHMXDAMTDRRCKQ-UHFFFAOYSA-N
XLogP0.46
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_B(41)', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
CID 114462428
2-(diethylsulfamoylamino)-5-hydroxybenzoic acid
CID 61405743
5-hydroxy-2-(2-methylsulfonylethylcarbamoylamino)benzoic acid
CID 61406140
N-(2-fluoro-4-hydroxyphenyl)methanesulfonamide
CID 64786305
5-hydroxy-2-(2-propan-2-yloxyethylsulfonylamino)benzoic acid
CID 79594362
2-(cyclopropylmethylsulfonylamino)-5-hydroxybenzoic acid
CID 64987916
5-hydroxy-2-(oxaloamino)benzoic acid
CID 20651558
2-[(3-ethoxy-3-oxopropyl)sulfonylamino]-5-hydroxybenzoic acid
CID 61458893
5-hydroxy-2-[(1-methylpyrazol-4-yl)sulfonylamino]benzoic acid
CID 61406079
N-(2-acetyl-4-chlorophenyl)methanesulfonamide
CID 145014745
5-hydroxy-2-[[2-(methylamino)acetyl]amino]benzoic acid
CID 61405958
2-(3-acetamidopropanoylamino)-5-hydroxybenzoic acid
CID 61405990

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-(methanesulfonamido)benzoic acid?
The IUPAC name of 5-hydroxy-2-(methanesulfonamido)benzoic acid (CID 61406346) is 5-hydroxy-2-(methanesulfonamido)benzoic acid.
What is the SMILES notation for 5-hydroxy-2-(methanesulfonamido)benzoic acid?
The canonical SMILES for 5-hydroxy-2-(methanesulfonamido)benzoic acid is CS(=O)(=O)Nc1ccc(O)cc1C(=O)O.
What is the InChIKey of 5-hydroxy-2-(methanesulfonamido)benzoic acid?
The InChIKey is BHMXDAMTDRRCKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO5S/c1-15(13,14)9-7-3-2-5(10)4-6(7)8(11)12/h2-4,9-10H,1H3,(H,11,12).
What are the key properties of 5-hydroxy-2-(methanesulfonamido)benzoic acid?
5-hydroxy-2-(methanesulfonamido)benzoic acid has a molecular weight of 231.23 g/mol, XLogP of 0.46, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-(methanesulfonamido)benzoic acid is sourced from PubChem (CID 61406346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).