2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid

C11H7BrClN3O4S — CID 116794837

IUPAC2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccnc(Cl)n2)ccc1Br
InChIInChI=1S/C11H7BrClN3O4S/c12-8-2-1-6(5-7(8)10(17)18)21(19,20)16-9-3-4-14-11(13)15-9/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyAFQTZLBQLIKNMP-UHFFFAOYSA-N
MW392.62 g/mol
LogP2.39
Rot. Bonds4

About 2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid

2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid (PubChem CID 116794837) has the molecular formula C11H7BrClN3O4S and a molecular weight of 392.62 g/mol. Its IUPAC name is 2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
PubChem CID116794837
Molecular FormulaC11H7BrClN3O4S
Molecular Weight392.62 g/mol
Exact Mass390.90
IUPAC Name2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
SMILESO=C(O)c1cc(S(=O)(=O)Nc2ccnc(Cl)n2)ccc1Br
InChIInChI=1S/C11H7BrClN3O4S/c12-8-2-1-6(5-7(8)10(17)18)21(19,20)16-9-3-4-14-11(13)15-9/h1-5H,(H,17,18)(H,14,15,16)
InChIKeyAFQTZLBQLIKNMP-UHFFFAOYSA-N
XLogP2.39
TPSA109.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.62
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794803
4-bromo-3-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794818
5-[(2-chloropyrimidin-4-yl)sulfamoyl]-2-methylbenzamide
CID 116798900
4-amino-N-(2-chloropyrimidin-4-yl)-3-methylbenzenesulfonamide
CID 116794691
2-bromo-5-(1,2,4-triazin-3-ylsulfamoyl)benzoic acid
CID 115571544
N-(2-chloropyrimidin-4-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 116798867
2-bromo-5-(hydroxysulfamoyl)benzoic acid
CID 78908716
3-chloro-N-(2-chloropyrimidin-4-yl)-4-methoxybenzenesulfonamide
CID 116798836
2-chloro-5-[(5-methyl-2-pyridinyl)sulfamoyl]benzoic acid
CID 28519051
2-bromo-N-(2-chloropyrimidin-4-yl)-4-fluorobenzenesulfonamide
CID 116795250
2,5-dibromo-N-(2-chloropyrimidin-4-yl)-4-methylbenzenesulfonamide
CID 116795242
3-amino-4-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid
CID 116794764

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid?
The IUPAC name of 2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid (CID 116794837) is 2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid.
What is the SMILES notation for 2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid?
The canonical SMILES for 2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid is O=C(O)c1cc(S(=O)(=O)Nc2ccnc(Cl)n2)ccc1Br.
What is the InChIKey of 2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid?
The InChIKey is AFQTZLBQLIKNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7BrClN3O4S/c12-8-2-1-6(5-7(8)10(17)18)21(19,20)16-9-3-4-14-11(13)15-9/h1-5H,(H,17,18)(H,14,15,16).
What are the key properties of 2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid?
2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid has a molecular weight of 392.62 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(2-chloropyrimidin-4-yl)sulfamoyl]benzoic acid is sourced from PubChem (CID 116794837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).