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

C13H10BrNO5S — CID 104833074

IUPAC3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccccc2Br)c1O
InChIInChI=1S/C13H10BrNO5S/c14-9-5-1-2-7-11(9)21(19,20)15-10-6-3-4-8(12(10)16)13(17)18/h1-7,15-16H,(H,17,18)
InChIKeyWMVYNITUTWFQKU-UHFFFAOYSA-N
MW372.20 g/mol
LogP2.65
Rot. Bonds4

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

3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid (PubChem CID 104833074) has the molecular formula C13H10BrNO5S and a molecular weight of 372.20 g/mol. Its IUPAC name is 3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid.

Molecular Properties

Compound Name3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
PubChem CID104833074
Molecular FormulaC13H10BrNO5S
Molecular Weight372.20 g/mol
Exact Mass370.95
IUPAC Name3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
SMILESO=C(O)c1cccc(NS(=O)(=O)c2ccccc2Br)c1O
InChIInChI=1S/C13H10BrNO5S/c14-9-5-1-2-7-11(9)21(19,20)15-10-6-3-4-8(12(10)16)13(17)18/h1-7,15-16H,(H,17,18)
InChIKeyWMVYNITUTWFQKU-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-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833135
2-[(2-bromophenyl)sulfonylamino]benzamide
CID 17391161
3-[(5-bromo-2-methylthiophen-3-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833131
2-[(2-bromophenyl)sulfonylamino]-6-fluorobenzoic acid
CID 43443122
2-[(2-bromophenyl)sulfonylamino]-5-iodobenzoic acid
CID 45330293
3-[(4-bromo-5-chlorothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 66799929
2-hydroxy-3-(thiophen-2-ylsulfonylamino)benzoic acid
CID 104833093
3-bromo-2-hydroxybenzoic acid
CID 520927
3-[[2-(2-bromoanilino)-3,4-dioxocyclobuten-1-yl]amino]-2-hydroxybenzoic acid
CID 59068153
3-[(5-cyanothiophen-2-yl)sulfonylamino]-2-hydroxybenzoic acid
CID 106265871
2-bromo-N-(2,6-dibromophenyl)benzenesulfonamide
CID 107602704
2-bromo-N-(2-ethylphenyl)benzenesulfonamide
CID 26949668

Frequently Asked Questions

What is the IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The IUPAC name of 3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid (CID 104833074) is 3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid.
What is the SMILES notation for 3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The canonical SMILES for 3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid is O=C(O)c1cccc(NS(=O)(=O)c2ccccc2Br)c1O.
What is the InChIKey of 3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid?
The InChIKey is WMVYNITUTWFQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrNO5S/c14-9-5-1-2-7-11(9)21(19,20)15-10-6-3-4-8(12(10)16)13(17)18/h1-7,15-16H,(H,17,18).
What are the key properties of 3-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid?
3-[(2-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-[(2-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid is sourced from PubChem (CID 104833074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).