1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine

C16H13BrN2O2S — CID 59744492

IUPAC1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine
SMILESC=C(C)c1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H13BrN2O2S/c1-11(2)15-10-13-14(17)8-9-18-16(13)19(15)22(20,21)12-6-4-3-5-7-12/h3-10H,1H2,2H3
InChIKeyUXTQXYIHAPHBMD-UHFFFAOYSA-N
MW377.26 g/mol
LogP4.07
Rot. Bonds3

About 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine (PubChem CID 59744492) has the molecular formula C16H13BrN2O2S and a molecular weight of 377.26 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine
PubChem CID59744492
Molecular FormulaC16H13BrN2O2S
Molecular Weight377.26 g/mol
Exact Mass375.99
IUPAC Name1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine
SMILESC=C(C)c1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C16H13BrN2O2S/c1-11(2)15-10-13-14(17)8-9-18-16(13)19(15)22(20,21)12-6-4-3-5-7-12/h3-10H,1H2,2H3
InChIKeyUXTQXYIHAPHBMD-UHFFFAOYSA-N
XLogP4.07
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine (CID 59744492) is 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine is C=C(C)c1cc2c(Br)ccnc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine?
The InChIKey is UXTQXYIHAPHBMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2S/c1-11(2)15-10-13-14(17)8-9-18-16(13)19(15)22(20,21)12-6-4-3-5-7-12/h3-10H,1H2,2H3.
What are the key properties of 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine has a molecular weight of 377.26 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-4-bromo-2-prop-1-en-2-ylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59744492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).