1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine

C13H10N2O2S — CID 852078

IUPAC1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2cccnc21
InChIInChI=1S/C13H10N2O2S/c16-18(17,12-6-2-1-3-7-12)15-10-8-11-5-4-9-14-13(11)15/h1-10H
InChIKeyKEPQQULYWDIKEK-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.27
Rot. Bonds2

About 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine (PubChem CID 852078) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine
PubChem CID852078
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)n1ccc2cccnc21
InChIInChI=1S/C13H10N2O2S/c16-18(17,12-6-2-1-3-7-12)15-10-8-11-5-4-9-14-13(11)15/h1-10H
InChIKeyKEPQQULYWDIKEK-UHFFFAOYSA-N
XLogP2.27
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Way-208466
CID 10337743
N-(2-{3-[(3-Fluorophenyl)sulfonyl]-1H-pyrrolo[2,3-b]pyridin-1-yl}ethyl)-N-methylamine
CID 10449488
4-(3-pyridin-3-yl-1~{H}-pyrrolo[2,3-b]pyridin-5-yl)benzenesulfonamide
CID 134812697
3-(Phenylsulfonyl)-1H-pyrrolo(2,3-b)pyridine
CID 22028181
N-methyl-N-[(4-methylphenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 4786643
6-Methyl-2-[4-(piperidin-1-ylsulfonyl)phenyl]imidazo[1,2-a]pyridine
CID 2909198
4-[5-Bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-amine
CID 44527045
3-(imidazo[1,2-a]pyridin-2-yl)-N,N-dimethylbenzenesulfonamide
CID 664793
Benzyl(phenylsulfonyl)-2-pyridylamine
CID 668956
7-Methyl-2-[3-(pyrrolidin-1-ylsulfonyl)phenyl]imidazo[1,2-a]pyridine
CID 941841
2-[3-(Phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl]ethylamine
CID 10380133
N,N-dimethyl-2-(3-(phenylsulfonyl)-1H-pyrrolo[2,3-b]pyridin-1-yl)ethanamine
CID 11709684

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine (CID 852078) is 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)n1ccc2cccnc21.
What is the InChIKey of 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine?
The InChIKey is KEPQQULYWDIKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c16-18(17,12-6-2-1-3-7-12)15-10-8-11-5-4-9-14-13(11)15/h1-10H.
What are the key properties of 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine has a molecular weight of 258.30 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 852078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).