2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline

C15H15N3O4S — CID 71493045

IUPAC2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline
SMILESCOc1cnc2c(ccn2S(=O)(=O)c2ccc(OC)c(N)c2)c1
InChIInChI=1S/C15H15N3O4S/c1-21-11-7-10-5-6-18(15(10)17-9-11)23(19,20)12-3-4-14(22-2)13(16)8-12/h3-9H,16H2,1-2H3
InChIKeyQOGCPXVWMHKFFC-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.87
Rot. Bonds4

About 2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline

2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline (PubChem CID 71493045) has the molecular formula C15H15N3O4S and a molecular weight of 333.37 g/mol. Its IUPAC name is 2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline
PubChem CID71493045
Molecular FormulaC15H15N3O4S
Molecular Weight333.37 g/mol
Exact Mass333.08
IUPAC Name2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline
SMILESCOc1cnc2c(ccn2S(=O)(=O)c2ccc(OC)c(N)c2)c1
InChIInChI=1S/C15H15N3O4S/c1-21-11-7-10-5-6-18(15(10)17-9-11)23(19,20)12-3-4-14(22-2)13(16)8-12/h3-9H,16H2,1-2H3
InChIKeyQOGCPXVWMHKFFC-UHFFFAOYSA-N
XLogP1.87
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline?
The IUPAC name of 2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline (CID 71493045) is 2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline.
What is the SMILES notation for 2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline?
The canonical SMILES for 2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline is COc1cnc2c(ccn2S(=O)(=O)c2ccc(OC)c(N)c2)c1.
What is the InChIKey of 2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline?
The InChIKey is QOGCPXVWMHKFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O4S/c1-21-11-7-10-5-6-18(15(10)17-9-11)23(19,20)12-3-4-14(22-2)13(16)8-12/h3-9H,16H2,1-2H3.
What are the key properties of 2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline?
2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline has a molecular weight of 333.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(5-methoxypyrrolo[2,3-b]pyridin-1-yl)sulfonylaniline is sourced from PubChem (CID 71493045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).