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

C15H14N2O3S — CID 11066595

IUPAC1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine
SMILESC=C1c2cccnc2N(S(=O)(=O)c2ccccc2)C1OC
InChIInChI=1S/C15H14N2O3S/c1-11-13-9-6-10-16-14(13)17(15(11)20-2)21(18,19)12-7-4-3-5-8-12/h3-10,15H,1H2,2H3
InChIKeyJGRDHTRTQSJDKJ-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.28
Rot. Bonds3

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

1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine (PubChem CID 11066595) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine
PubChem CID11066595
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine
SMILESC=C1c2cccnc2N(S(=O)(=O)c2ccccc2)C1OC
InChIInChI=1S/C15H14N2O3S/c1-11-13-9-6-10-16-14(13)17(15(11)20-2)21(18,19)12-7-4-3-5-8-12/h3-10,15H,1H2,2H3
InChIKeyJGRDHTRTQSJDKJ-UHFFFAOYSA-N
XLogP2.28
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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1-(benzenesulfonyl)-2-(2-ethoxy-3-methoxyphenyl)imidazole
CID 110535227
methyl 1-(benzenesulfonyl)pyrrolo[2,3-b]pyridine-3-carboxylate
CID 15866752
[4-(benzenesulfonyl)piperazin-1-yl]-(2-methoxy-3-pyridinyl)methanone
CID 55559458
1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 3127957
(2R,6S)-1-(benzenesulfonyl)-2,6-dimethylpiperidine
CID 726586
methyl 4-[3-methylidene-1-(4-methylphenyl)sulfonyl-2H-indol-2-yl]butanoate
CID 11501904
diethyl (3R,9aR)-9-(benzenesulfonyl)-3-methoxy-3,9a-dihydropyridazino[3,4-b]indole-1,2-dicarboxylate
CID 15722933
4-[1-(benzenesulfonyl)pyrrolidin-2-yl]-N,N-dimethylpyridin-2-amine
CID 127246771
(2S,3S)-1-(benzenesulfonyl)-2,3-dimethyl-2,3-dihydroindole
CID 92533105
[1-(benzenesulfonyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)-2,3-dihydropyrrolo[2,3-b]pyridin-2-yl]methanol
CID 70922929

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine (CID 11066595) is 1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine is C=C1c2cccnc2N(S(=O)(=O)c2ccccc2)C1OC.
What is the InChIKey of 1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine?
The InChIKey is JGRDHTRTQSJDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-11-13-9-6-10-16-14(13)17(15(11)20-2)21(18,19)12-7-4-3-5-8-12/h3-10,15H,1H2,2H3.
What are the key properties of 1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine has a molecular weight of 302.36 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-methoxy-3-methylidene-2H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 11066595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).