6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine

C13H10N2O2S — CID 151578672

IUPAC6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine
SMILESO=S(=O)(C1=NC=C2C=CN=C2C1)c1ccccc1
InChIInChI=1S/C13H10N2O2S/c16-18(17,11-4-2-1-3-5-11)13-8-12-10(9-15-13)6-7-14-12/h1-7,9H,8H2
InChIKeyQFZUBVUTOCZRKD-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.11
Rot. Bonds1

About 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine

6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine (PubChem CID 151578672) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine
PubChem CID151578672
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine
SMILESO=S(=O)(C1=NC=C2C=CN=C2C1)c1ccccc1
InChIInChI=1S/C13H10N2O2S/c16-18(17,11-4-2-1-3-5-11)13-8-12-10(9-15-13)6-7-14-12/h1-7,9H,8H2
InChIKeyQFZUBVUTOCZRKD-UHFFFAOYSA-N
XLogP2.11
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]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 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine?
The IUPAC name of 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine (CID 151578672) is 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine.
What is the SMILES notation for 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine?
The canonical SMILES for 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine is O=S(=O)(C1=NC=C2C=CN=C2C1)c1ccccc1.
What is the InChIKey of 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine?
The InChIKey is QFZUBVUTOCZRKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-18(17,11-4-2-1-3-5-11)13-8-12-10(9-15-13)6-7-14-12/h1-7,9H,8H2.
What are the key properties of 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine?
6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine has a molecular weight of 258.30 g/mol, XLogP of 2.11, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-7H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 151578672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).