2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid

C17H12BrN3O6S — CID 135434224

IUPAC2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)[nH]c(=O)c1O
InChIInChI=1S/C17H12BrN3O6S/c18-9-5-7-10(8-6-9)28(26,27)21-12-4-2-1-3-11(12)15-19-13(17(24)25)14(22)16(23)20-15/h1-8,21-22H,(H,24,25)(H,19,20,23)
InChIKeyIEAJUMSCHYBLFS-UHFFFAOYSA-N
MW466.27 g/mol
LogP2.40
Rot. Bonds5

About 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid

2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (PubChem CID 135434224) has the molecular formula C17H12BrN3O6S and a molecular weight of 466.27 g/mol. Its IUPAC name is 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
PubChem CID135434224
Molecular FormulaC17H12BrN3O6S
Molecular Weight466.27 g/mol
Exact Mass464.96
IUPAC Name2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)[nH]c(=O)c1O
InChIInChI=1S/C17H12BrN3O6S/c18-9-5-7-10(8-6-9)28(26,27)21-12-4-2-1-3-11(12)15-19-13(17(24)25)14(22)16(23)20-15/h1-8,21-22H,(H,24,25)(H,19,20,23)
InChIKeyIEAJUMSCHYBLFS-UHFFFAOYSA-N
XLogP2.40
TPSA149.45 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.27
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Analyze 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-hydroxy-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434247
2-[2-[[4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]phenyl]sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434238
5-hydroxy-6-oxo-2-[2-(phenylcarbamoylamino)phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434234
4-bromo-N-(2-phenylphenyl)benzenesulfonamide
CID 19684169
2-[2-[(2-chlorophenyl)methylsulfamoylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 135434212
3-[(4-bromophenyl)sulfonylamino]-2-hydroxybenzoic acid
CID 104833135
N-[2-[(4-bromophenyl)sulfonylamino]phenyl]acetamide
CID 113093694
4-bromo-N-[2-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 122283176
2-[(4-bromophenyl)sulfonylamino]-N-phenylbenzamide
CID 2332035
ethyl 5-methyl-2-[2-[(4-methylphenyl)sulfonylamino]phenyl]-1H-imidazole-4-carboxylate
CID 169372608
4-acetyl-N-[2-(1H-benzimidazol-2-yl)phenyl]benzenesulfonamide
CID 59191080
5-hydroxy-6-oxo-2-[2-[[2-(trifluoromethyl)phenyl]methylcarbamoylamino]phenyl]-1H-pyrimidine-4-carboxylic acid
CID 135434189

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid (CID 135434224) is 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2NS(=O)(=O)c2ccc(Br)cc2)[nH]c(=O)c1O.
What is the InChIKey of 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
The InChIKey is IEAJUMSCHYBLFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3O6S/c18-9-5-7-10(8-6-9)28(26,27)21-12-4-2-1-3-11(12)15-19-13(17(24)25)14(22)16(23)20-15/h1-8,21-22H,(H,24,25)(H,19,20,23).
What are the key properties of 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid?
2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid has a molecular weight of 466.27 g/mol, XLogP of 2.40, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromophenyl)sulfonylamino]phenyl]-5-hydroxy-6-oxo-1H-pyrimidine-4-carboxylic acid is sourced from PubChem (CID 135434224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).