6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine

C15H16N2O3S — CID 121191232

IUPAC6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2Cc3cccnc3C2)cc1C
InChIInChI=1S/C15H16N2O3S/c1-11-8-13(5-6-15(11)20-2)21(18,19)17-9-12-4-3-7-16-14(12)10-17/h3-8H,9-10H2,1-2H3
InChIKeyXDMYWLJABGJYTR-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.10
Rot. Bonds3

About 6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine

6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine (PubChem CID 121191232) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine.

Molecular Properties

Compound Name6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
PubChem CID121191232
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
SMILESCOc1ccc(S(=O)(=O)N2Cc3cccnc3C2)cc1C
InChIInChI=1S/C15H16N2O3S/c1-11-8-13(5-6-15(11)20-2)21(18,19)17-9-12-4-3-7-16-14(12)10-17/h3-8H,9-10H2,1-2H3
InChIKeyXDMYWLJABGJYTR-UHFFFAOYSA-N
XLogP2.10
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)benzenesulfonamide
CID 121191276
6-(3-chloro-4-fluorophenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191240
1-[3-(5,7-dihydropyrrolo[3,4-b]pyridin-6-ylsulfonyl)phenyl]ethanone
CID 121191228
4-(4-methoxy-3-methylphenyl)sulfonyl-1-methylpiperazin-2-one
CID 110708141
1-(4-methoxy-3-methylphenyl)sulfonylpiperidin-4-amine
CID 28804121
6-[4-(trifluoromethyl)phenyl]sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine
CID 121191252
4-(4-methoxy-3-methylphenyl)sulfonylmorpholine
CID 847008
2-[1-(4-methoxy-3-methylphenyl)sulfonylazetidin-3-yl]-3,4-dihydro-1H-isoquinoline
CID 121153674
4-[4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-yl]-6-pyrrol-1-ylpyrimidine
CID 122341904
1-tert-butyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazine
CID 113074863
3-(4-methoxy-3-methylphenyl)sulfonyl-1,3-oxazolidine
CID 110740054
1-ethyl-4-(4-methoxy-3-methylphenyl)sulfonylpiperazin-1-ium
CID 6957248

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The IUPAC name of 6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine (CID 121191232) is 6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine.
What is the SMILES notation for 6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The canonical SMILES for 6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine is COc1ccc(S(=O)(=O)N2Cc3cccnc3C2)cc1C.
What is the InChIKey of 6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
The InChIKey is XDMYWLJABGJYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-11-8-13(5-6-15(11)20-2)21(18,19)17-9-12-4-3-7-16-14(12)10-17/h3-8H,9-10H2,1-2H3.
What are the key properties of 6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine?
6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine has a molecular weight of 304.37 g/mol, XLogP of 2.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxy-3-methylphenyl)sulfonyl-5,7-dihydropyrrolo[3,4-b]pyridine is sourced from PubChem (CID 121191232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).