1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine

C18H22N2O3S — CID 136537863

IUPAC1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCc3cnccc32)cc1C(C)C
InChIInChI=1S/C18H22N2O3S/c1-12(2)15-10-18(13(3)9-17(15)23-4)24(21,22)20-8-6-14-11-19-7-5-16(14)20/h5,7,9-12H,6,8H2,1-4H3
InChIKeyQVONVLVMRHQEDB-UHFFFAOYSA-N
MW346.45 g/mol
LogP3.27
Rot. Bonds4

About 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine

1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine (PubChem CID 136537863) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
PubChem CID136537863
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine
SMILESCOc1cc(C)c(S(=O)(=O)N2CCc3cnccc32)cc1C(C)C
InChIInChI=1S/C18H22N2O3S/c1-12(2)15-10-18(13(3)9-17(15)23-4)24(21,22)20-8-6-14-11-19-7-5-16(14)20/h5,7,9-12H,6,8H2,1-4H3
InChIKeyQVONVLVMRHQEDB-UHFFFAOYSA-N
XLogP3.27
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine?
The IUPAC name of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine (CID 136537863) is 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine.
What is the SMILES notation for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine?
The canonical SMILES for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine is COc1cc(C)c(S(=O)(=O)N2CCc3cnccc32)cc1C(C)C.
What is the InChIKey of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine?
The InChIKey is QVONVLVMRHQEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-12(2)15-10-18(13(3)9-17(15)23-4)24(21,22)20-8-6-14-11-19-7-5-16(14)20/h5,7,9-12H,6,8H2,1-4H3.
What are the key properties of 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine?
1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine has a molecular weight of 346.45 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)sulfonyl-2,3-dihydropyrrolo[3,2-c]pyridine is sourced from PubChem (CID 136537863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).