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

C16H15BrN2O2S — CID 123815720

IUPAC6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
SMILESCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(Br)ncc12
InChIInChI=1S/C16H15BrN2O2S/c1-3-12-10-19(15-8-16(17)18-9-14(12)15)22(20,21)13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3
InChIKeyCWSZTAVKFRRMHO-UHFFFAOYSA-N
MW379.28 g/mol
LogP3.91
Rot. Bonds3

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

6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine (PubChem CID 123815720) has the molecular formula C16H15BrN2O2S and a molecular weight of 379.28 g/mol. Its IUPAC name is 6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
PubChem CID123815720
Molecular FormulaC16H15BrN2O2S
Molecular Weight379.28 g/mol
Exact Mass378.00
IUPAC Name6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
SMILESCCc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(Br)ncc12
InChIInChI=1S/C16H15BrN2O2S/c1-3-12-10-19(15-8-16(17)18-9-14(12)15)22(20,21)13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3
InChIKeyCWSZTAVKFRRMHO-UHFFFAOYSA-N
XLogP3.91
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 53.91
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-methyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine
CID 144813630
5-ethoxy-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 143660405
7-bromo-3-ethyl-1-(4-methylphenyl)sulfonylindole
CID 173164693
1-[3-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-5-yl]propan-2-one
CID 161088350
1-(4-methylphenyl)sulfonyl-3-propylindol-5-ol
CID 59444295
5-bromo-1-(4-methylphenyl)sulfonyl-3-pyrimidin-5-ylindole
CID 10002663
5-(bromomethyl)-3-(2,2-difluoroethyl)-1-(4-methylphenyl)sulfonylindole
CID 57386816
6-bromo-1-(4-methylphenyl)sulfonyl-3-[4-(trifluoromethyl)-2-pyridinyl]indole
CID 101101781
N-[[2-methyl-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-5-yl]methyl]methanimine
CID 123616028
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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine?
The IUPAC name of 6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine (CID 123815720) is 6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine is CCc1cn(S(=O)(=O)c2ccc(C)cc2)c2cc(Br)ncc12.
What is the InChIKey of 6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine?
The InChIKey is CWSZTAVKFRRMHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrN2O2S/c1-3-12-10-19(15-8-16(17)18-9-14(12)15)22(20,21)13-6-4-11(2)5-7-13/h4-10H,3H2,1-2H3.
What are the key properties of 6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine?
6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine has a molecular weight of 379.28 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-ethyl-1-(4-methylphenyl)sulfonylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 123815720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).