1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine

C14H11ClN2O2S — CID 121228705

IUPAC1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)cc(Cl)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H11ClN2O2S/c1-10-7-11-8-13(15)17(14(11)16-9-10)20(18,19)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyBIIDYTGLHPZISU-UHFFFAOYSA-N
MW306.77 g/mol
LogP3.24
Rot. Bonds2

About 1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine (PubChem CID 121228705) has the molecular formula C14H11ClN2O2S and a molecular weight of 306.77 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine
PubChem CID121228705
Molecular FormulaC14H11ClN2O2S
Molecular Weight306.77 g/mol
Exact Mass306.02
IUPAC Name1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine
SMILESCc1cnc2c(c1)cc(Cl)n2S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H11ClN2O2S/c1-10-7-11-8-13(15)17(14(11)16-9-10)20(18,19)12-5-3-2-4-6-12/h2-9H,1H3
InChIKeyBIIDYTGLHPZISU-UHFFFAOYSA-N
XLogP3.24
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.77
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[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)-2-chloro-5-methylpyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine (CID 121228705) is 1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine is Cc1cnc2c(c1)cc(Cl)n2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine?
The InChIKey is BIIDYTGLHPZISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O2S/c1-10-7-11-8-13(15)17(14(11)16-9-10)20(18,19)12-5-3-2-4-6-12/h2-9H,1H3.
What are the key properties of 1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine has a molecular weight of 306.77 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-chloro-5-methylpyrrolo[2,3-b]pyridine is sourced from PubChem (CID 121228705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).