4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid

C15H13BrClNO5S — CID 71845669

IUPAC4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)O
InChIInChI=1S/C15H13BrClNO5S/c1-8-3-4-9(17)5-12(8)18-24(21,22)14-6-10(15(19)20)13(23-2)7-11(14)16/h3-7,18H,1-2H3,(H,19,20)
InChIKeyKRUQVFYPCLZGPD-UHFFFAOYSA-N
MW434.70 g/mol
LogP3.92
Rot. Bonds5

About 4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid

4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid (PubChem CID 71845669) has the molecular formula C15H13BrClNO5S and a molecular weight of 434.70 g/mol. Its IUPAC name is 4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid.

Molecular Properties

Compound Name4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid
PubChem CID71845669
Molecular FormulaC15H13BrClNO5S
Molecular Weight434.70 g/mol
Exact Mass432.94
IUPAC Name4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid
SMILESCOc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)O
InChIInChI=1S/C15H13BrClNO5S/c1-8-3-4-9(17)5-12(8)18-24(21,22)14-6-10(15(19)20)13(23-2)7-11(14)16/h3-7,18H,1-2H3,(H,19,20)
InChIKeyKRUQVFYPCLZGPD-UHFFFAOYSA-N
XLogP3.92
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.70
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-4-[(5-chloro-2-methylphenyl)sulfamoyl]benzoic acid
CID 78851015
methyl 5-bromo-2-[(5-chloro-2-methylphenyl)sulfamoyl]benzoate
CID 55353794
N-(5-chloro-2-methylphenyl)-2,4-dimethoxybenzenesulfonamide
CID 22775089
2-bromo-N-(5-chloro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 35508307
5-(aminomethyl)-2-bromo-N-(5-chloro-2-methylphenyl)benzenesulfonamide
CID 106031168
N-(5-chloro-2-methylphenyl)-3,4-dimethylbenzenesulfonamide
CID 2697102
2-amino-N-(5-chloro-2-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 29298955
3-[(4-chloro-2-methoxyphenyl)sulfonylamino]thiophene-2-carboxylic acid
CID 43443083
5-chloro-N-(5-chloro-2-methoxyphenyl)-2-methoxybenzenesulfonamide
CID 1326389
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
3-[(5-chloro-2-methoxyphenyl)sulfamoyl]thiophene-2-carboxylic acid
CID 43235705
2,5-dibromo-N-(2-bromo-4-chlorophenyl)-4-methylbenzenesulfonamide
CID 81319576

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid?
The IUPAC name of 4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid (CID 71845669) is 4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid.
What is the SMILES notation for 4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid?
The canonical SMILES for 4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid is COc1cc(Br)c(S(=O)(=O)Nc2cc(Cl)ccc2C)cc1C(=O)O.
What is the InChIKey of 4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid?
The InChIKey is KRUQVFYPCLZGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrClNO5S/c1-8-3-4-9(17)5-12(8)18-24(21,22)14-6-10(15(19)20)13(23-2)7-11(14)16/h3-7,18H,1-2H3,(H,19,20).
What are the key properties of 4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid?
4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid has a molecular weight of 434.70 g/mol, XLogP of 3.92, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-[(5-chloro-2-methylphenyl)sulfamoyl]-2-methoxybenzoic acid is sourced from PubChem (CID 71845669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).