2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide

C13H12N2O5S — CID 107722283

IUPAC2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(O)ccc2O)c1
InChIInChI=1S/C13H12N2O5S/c14-21(19,20)10-3-1-2-8(6-10)15-13(18)11-7-9(16)4-5-12(11)17/h1-7,16-17H,(H,15,18)(H2,14,19,20)
InChIKeySLWDWOBPTDPLRO-UHFFFAOYSA-N
MW308.32 g/mol
LogP1.00
Rot. Bonds3

About 2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide

2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide (PubChem CID 107722283) has the molecular formula C13H12N2O5S and a molecular weight of 308.32 g/mol. Its IUPAC name is 2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide.

Molecular Properties

Compound Name2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
PubChem CID107722283
Molecular FormulaC13H12N2O5S
Molecular Weight308.32 g/mol
Exact Mass308.05
IUPAC Name2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide
SMILESNS(=O)(=O)c1cccc(NC(=O)c2cc(O)ccc2O)c1
InChIInChI=1S/C13H12N2O5S/c14-21(19,20)10-3-1-2-8(6-10)15-13(18)11-7-9(16)4-5-12(11)17/h1-7,16-17H,(H,15,18)(H2,14,19,20)
InChIKeySLWDWOBPTDPLRO-UHFFFAOYSA-N
XLogP1.00
TPSA129.72 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.32
LogP ≤ 51.00
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2,4-dibromo-N-(3-sulfamoylphenyl)benzamide
CID 103885203
4-hydrazinyl-N-(3-sulfamoylphenyl)benzamide
CID 62237100
2-amino-3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 115539982
2-methyl-N-(3-sulfamoylphenyl)pyridine-3-carboxamide
CID 78950909
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415
5-amino-N-(3-sulfamoylphenyl)-1H-pyrazole-4-carboxamide
CID 43337194
5-[(2,5-dihydroxybenzoyl)amino]-2-hydroxybenzoic acid
CID 107721538
2-(phenoxymethyl)-N-(3-sulfamoylphenyl)benzamide
CID 24854768
2-methyl-N-(3-sulfamoylphenyl)quinoline-4-carboxamide
CID 9413123
4-acetamido-N-(3-sulfamoylphenyl)benzamide
CID 4067351
4-(aminomethyl)-N-(3-sulfamoylphenyl)benzamide
CID 29030560
3-chloro-N-(3-sulfamoylphenyl)benzamide
CID 26580558

Frequently Asked Questions

What is the IUPAC name of 2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide?
The IUPAC name of 2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide (CID 107722283) is 2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide.
What is the SMILES notation for 2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide?
The canonical SMILES for 2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide is NS(=O)(=O)c1cccc(NC(=O)c2cc(O)ccc2O)c1.
What is the InChIKey of 2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide?
The InChIKey is SLWDWOBPTDPLRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O5S/c14-21(19,20)10-3-1-2-8(6-10)15-13(18)11-7-9(16)4-5-12(11)17/h1-7,16-17H,(H,15,18)(H2,14,19,20).
What are the key properties of 2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide?
2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide has a molecular weight of 308.32 g/mol, XLogP of 1.00, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydroxy-N-(3-sulfamoylphenyl)benzamide is sourced from PubChem (CID 107722283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).