3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid

C13H10BrNO5S — CID 104833135

IUPAC3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1O
InChIInChI=1S/C13H10BrNO5S/c14-8-4-6-9(7-5-8)21(19,20)15-11-3-1-2-10(12(11)16)13(17)18/h1-7,15-16H,(H,17,18)
InChIKeyWEXVGIHITMFEFD-UHFFFAOYSA-N
MW372.20 g/mol
LogP2.65
Rot. Bonds4

About 3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid

3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 104833135) has the molecular formula C13H10BrNO5S and a molecular weight of 372.20 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID104833135
Molecular FormulaC13H10BrNO5S
Molecular Weight372.20 g/mol
Exact Mass370.95
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1O
InChIInChI=1S/C13H10BrNO5S/c14-8-4-6-9(7-5-8)21(19,20)15-11-3-1-2-10(12(11)16)13(17)18/h1-7,15-16H,(H,17,18)
InChIKeyWEXVGIHITMFEFD-UHFFFAOYSA-N
XLogP2.65
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.20
LogP ≤ 52.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833074
N-(3-acetyl-2-methylphenyl)-4-bromobenzenesulfonamide
CID 91114116
3-[(4-bromophenyl)sulfonylamino]-2-methylbenzamide
CID 39846088
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
N-(3-acetyl-2-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169373303
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833131
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
3-[(4-bromo-5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 66799929
2-[(4-carboxyphenyl)sulfonylamino]benzoic acid
CID 763907
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 106265871
2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434224

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid (CID 104833135) is 3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2)c1O.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is WEXVGIHITMFEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO5S/c14-8-4-6-9(7-5-8)21(19,20)15-11-3-1-2-10(12(11)16)13(17)18/h1-7,15-16H,(H,17,18).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid?
3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid has a molecular weight of 372.20 g/mol, XLogP of 2.65, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104833135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).