2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid

C15H14BrNO5S — CID 51114842

IUPAC2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)O
InChIInChI=1S/C15H14BrNO5S/c1-9-3-5-12(11(7-9)15(18)19)17-23(20,21)14-8-10(16)4-6-13(14)22-2/h3-8,17H,1-2H3,(H,18,19)
InChIKeyKCZOYJDUKWNRQX-UHFFFAOYSA-N
MW400.25 g/mol
LogP3.27
Rot. Bonds5

About 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid

2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid (PubChem CID 51114842) has the molecular formula C15H14BrNO5S and a molecular weight of 400.25 g/mol. Its IUPAC name is 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid.

Molecular Properties

Compound Name2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
PubChem CID51114842
Molecular FormulaC15H14BrNO5S
Molecular Weight400.25 g/mol
Exact Mass398.98
IUPAC Name2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid
SMILESCOc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)O
InChIInChI=1S/C15H14BrNO5S/c1-9-3-5-12(11(7-9)15(18)19)17-23(20,21)14-8-10(16)4-6-13(14)22-2/h3-8,17H,1-2H3,(H,18,19)
InChIKeyKCZOYJDUKWNRQX-UHFFFAOYSA-N
XLogP3.27
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.25
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[2-(hydroxymethyl)-4-methylphenyl]-2-methoxybenzenesulfonamide
CID 3852204
N-(2-benzoylphenyl)-5-bromo-2-methoxybenzenesulfonamide
CID 100743808
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-methylbenzamide
CID 26268702
2-[(2-fluoro-5-methylphenyl)sulfonylamino]-5-methylbenzoic acid
CID 51114826
N-[2-(azepane-1-carbonyl)phenyl]-5-bromo-2-methoxybenzenesulfonamide
CID 100750695
3-[(2-chloro-4-methylphenyl)sulfamoyl]-2-hydroxy-5-methylbenzoic acid
CID 51126123
5-bromo-N-(4-chloro-2-hydroxyphenyl)-2-methoxybenzenesulfonamide
CID 155555207
methyl 5-[(5-bromo-2-methoxyphenyl)sulfonylamino]-2,4-difluorobenzoate
CID 31808235
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
5-bromo-2-[(4-methoxy-3-nitrophenyl)sulfonylamino]benzoic acid
CID 21065061
2-[(5-bromo-2-methylphenyl)sulfonylamino]-5-methoxy-4-(2-methoxyethoxy)benzoic acid
CID 24580581
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)benzamide
CID 133228042

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid?
The IUPAC name of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid (CID 51114842) is 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid.
What is the SMILES notation for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid?
The canonical SMILES for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid is COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(C)cc1C(=O)O.
What is the InChIKey of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid?
The InChIKey is KCZOYJDUKWNRQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrNO5S/c1-9-3-5-12(11(7-9)15(18)19)17-23(20,21)14-8-10(16)4-6-13(14)22-2/h3-8,17H,1-2H3,(H,18,19).
What are the key properties of 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid?
2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid has a molecular weight of 400.25 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2-methoxyphenyl)sulfonylamino]-5-methylbenzoic acid is sourced from PubChem (CID 51114842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).