4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid

C13H11BrN2O4S — CID 28828893

IUPAC4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cccnc1NS(=O)(=O)c1cc(C(=O)O)ccc1Br
InChIInChI=1S/C13H11BrN2O4S/c1-8-3-2-6-15-12(8)16-21(19,20)11-7-9(13(17)18)4-5-10(11)14/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyOABAKMYSNIXRJZ-UHFFFAOYSA-N
MW371.21 g/mol
LogP2.65
Rot. Bonds4

About 4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid

4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid (PubChem CID 28828893) has the molecular formula C13H11BrN2O4S and a molecular weight of 371.21 g/mol. Its IUPAC name is 4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid
PubChem CID28828893
Molecular FormulaC13H11BrN2O4S
Molecular Weight371.21 g/mol
Exact Mass369.96
IUPAC Name4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid
SMILESCc1cccnc1NS(=O)(=O)c1cc(C(=O)O)ccc1Br
InChIInChI=1S/C13H11BrN2O4S/c1-8-3-2-6-15-12(8)16-21(19,20)11-7-9(13(17)18)4-5-10(11)14/h2-7H,1H3,(H,15,16)(H,17,18)
InChIKeyOABAKMYSNIXRJZ-UHFFFAOYSA-N
XLogP2.65
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.21
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-3-carboxylic acid
CID 29274956
5-bromo-4-[(3-methyl-2-pyridinyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43362570
5-bromo-2,4-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 45100413
4-bromo-3-[(4,5-dimethyl-1H-pyrazol-3-yl)sulfamoyl]benzoic acid
CID 104617559
2,5-dimethyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 15944002
4-bromo-3-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794818
2-[(2-bromo-4-methylphenyl)sulfonylamino]pyridine-3-carboxylic acid
CID 63654276
2,5-dimethyl-4-[(3-methyl-2-pyridinyl)sulfamoyl]furan-3-carboxylic acid
CID 43319924
2,4,5-trichloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19683104
3-[(2,5-dibromophenyl)sulfonylamino]pyrazine-2-carboxylic acid
CID 63260183
4-bromo-3-(pyridin-4-ylmethylsulfamoyl)benzoic acid
CID 28830112
4-bromo-3-[(2-methylpropan-2-yl)oxysulfamoyl]benzoic acid
CID 82720675

Frequently Asked Questions

What is the IUPAC name of 4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The IUPAC name of 4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid (CID 28828893) is 4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid.
What is the SMILES notation for 4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The canonical SMILES for 4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid is Cc1cccnc1NS(=O)(=O)c1cc(C(=O)O)ccc1Br.
What is the InChIKey of 4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
The InChIKey is OABAKMYSNIXRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrN2O4S/c1-8-3-2-6-15-12(8)16-21(19,20)11-7-9(13(17)18)4-5-10(11)14/h2-7H,1H3,(H,15,16)(H,17,18).
What are the key properties of 4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid?
4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid has a molecular weight of 371.21 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-3-[(3-methyl-2-pyridinyl)sulfamoyl]benzoic acid is sourced from PubChem (CID 28828893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).