6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine

C15H13BrN2O2S — CID 144813630

IUPAC6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(C)c3cnc(Br)cc32)cc1
InChIInChI=1S/C15H13BrN2O2S/c1-10-3-5-12(6-4-10)21(19,20)18-9-11(2)13-8-17-15(16)7-14(13)18/h3-9H,1-2H3
InChIKeyAAVLYJWIYKTKIW-UHFFFAOYSA-N
MW365.25 g/mol
LogP3.65
Rot. Bonds2

About 6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine

6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine (PubChem CID 144813630) has the molecular formula C15H13BrN2O2S and a molecular weight of 365.25 g/mol. Its IUPAC name is 6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
PubChem CID144813630
Molecular FormulaC15H13BrN2O2S
Molecular Weight365.25 g/mol
Exact Mass363.99
IUPAC Name6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
SMILESCc1ccc(S(=O)(=O)n2cc(C)c3cnc(Br)cc32)cc1
InChIInChI=1S/C15H13BrN2O2S/c1-10-3-5-12(6-4-10)21(19,20)18-9-11(2)13-8-17-15(16)7-14(13)18/h3-9H,1-2H3
InChIKeyAAVLYJWIYKTKIW-UHFFFAOYSA-N
XLogP3.65
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 123815720
5-bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole
CID 10002663
1-[3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-5-yl]propan-2-one
CID 161088350
N-(3,5-dichloro-4-pyridinyl)-3-methyl-1-(4-methylphenyl)sulfonylindole-6-carboxamide
CID 22663231
5-bromo-3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylindole
CID 132573373
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 166565528
5-chloro-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine-3-thiol
CID 146509609
6-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)-2-pyridinyl]indole
CID 101101781
1-[5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]ethanone
CID 73014138
5-bromo-1-(4-methylphenyl)sulfonylindole
CID 11954618
3-(2,5-dichloropyrimidin-4-yl)-1-(4-methylphenyl)sulfonyl-6-nitroindole
CID 156565776
5-bromo-1-(4-methylphenyl)sulfonyl-3-phenylpyrrolo[2,3-b]pyridine
CID 141325151

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine?
The IUPAC name of 6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine (CID 144813630) is 6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine is Cc1ccc(S(=O)(=O)n2cc(C)c3cnc(Br)cc32)cc1.
What is the InChIKey of 6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine?
The InChIKey is AAVLYJWIYKTKIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN2O2S/c1-10-3-5-12(6-4-10)21(19,20)18-9-11(2)13-8-17-15(16)7-14(13)18/h3-9H,1-2H3.
What are the key properties of 6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine?
6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine has a molecular weight of 365.25 g/mol, XLogP of 3.65, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 144813630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).