5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid

C15H11BrN2O4S — CID 166565528

IUPAC5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)n2c(C(=O)O)cc3cc(Br)ncc32)cc1
InChIInChI=1S/C15H11BrN2O4S/c1-9-2-4-11(5-3-9)23(21,22)18-12(15(19)20)6-10-7-14(16)17-8-13(10)18/h2-8H,1H3,(H,19,20)
InChIKeyHHIGMYRDCVMSSX-UHFFFAOYSA-N
MW395.23 g/mol
LogP3.04
Rot. Bonds3

About 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid

5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid (PubChem CID 166565528) has the molecular formula C15H11BrN2O4S and a molecular weight of 395.23 g/mol. Its IUPAC name is 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid
PubChem CID166565528
Molecular FormulaC15H11BrN2O4S
Molecular Weight395.23 g/mol
Exact Mass393.96
IUPAC Name5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid
SMILESCc1ccc(S(=O)(=O)n2c(C(=O)O)cc3cc(Br)ncc32)cc1
InChIInChI=1S/C15H11BrN2O4S/c1-9-2-4-11(5-3-9)23(21,22)18-12(15(19)20)6-10-7-14(16)17-8-13(10)18/h2-8H,1H3,(H,19,20)
InChIKeyHHIGMYRDCVMSSX-UHFFFAOYSA-N
XLogP3.04
TPSA89.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.23
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-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

2-bromo-6-methyl-5-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyrazine
CID 58557085
2,4-dichloro-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 155291441
5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
CID 90800425
6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 144813630
5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 156524125
6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 123815720
1-(4-methylphenyl)sulfonylimidazole-4-carboxylic acid
CID 26967023
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
1-(benzenesulfonyl)-5-iodopyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 71299156
5-bromo-1-(4-methylphenyl)sulfonylindazole
CID 58137189
[5-bromo-6-hydroxy-1-(4-methylphenyl)sulfonylindol-2-yl]methylcarbamic acid
CID 174242758
5-bromo-2-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 135298225

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid?
The IUPAC name of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid (CID 166565528) is 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid?
The canonical SMILES for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid is Cc1ccc(S(=O)(=O)n2c(C(=O)O)cc3cc(Br)ncc32)cc1.
What is the InChIKey of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid?
The InChIKey is HHIGMYRDCVMSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O4S/c1-9-2-4-11(5-3-9)23(21,22)18-12(15(19)20)6-10-7-14(16)17-8-13(10)18/h2-8H,1H3,(H,19,20).
What are the key properties of 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid?
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid has a molecular weight of 395.23 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 166565528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).