1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine

C15H14N2O3S — CID 74891255

IUPAC1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine
SMILESCOc1ccc2c(ccn2S(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C15H14N2O3S/c1-20-15-8-7-14-13(16-15)9-10-17(14)21(18,19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyNRTKEZJBHOPALR-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.42
Rot. Bonds4

About 1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine

1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine (PubChem CID 74891255) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine
PubChem CID74891255
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine
SMILESCOc1ccc2c(ccn2S(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C15H14N2O3S/c1-20-15-8-7-14-13(16-15)9-10-17(14)21(18,19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3
InChIKeyNRTKEZJBHOPALR-UHFFFAOYSA-N
XLogP2.42
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine?
The IUPAC name of 1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine (CID 74891255) is 1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine.
What is the SMILES notation for 1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine?
The canonical SMILES for 1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine is COc1ccc2c(ccn2S(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of 1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine?
The InChIKey is NRTKEZJBHOPALR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-15-8-7-14-13(16-15)9-10-17(14)21(18,19)11-12-5-3-2-4-6-12/h2-10H,11H2,1H3.
What are the key properties of 1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine?
1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine has a molecular weight of 302.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzylsulfonyl-5-methoxypyrrolo[3,2-b]pyridine is sourced from PubChem (CID 74891255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).