4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline

C14H13N3O2S — CID 71463517

IUPAC4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline
SMILESCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccncc12
InChIInChI=1S/C14H13N3O2S/c1-10-9-17(14-6-7-16-8-13(10)14)20(18,19)12-4-2-11(15)3-5-12/h2-9H,15H2,1H3
InChIKeyOFUOYOQGXXXBHD-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.16
Rot. Bonds2

About 4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline

4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline (PubChem CID 71463517) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline
PubChem CID71463517
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline
SMILESCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccncc12
InChIInChI=1S/C14H13N3O2S/c1-10-9-17(14-6-7-16-8-13(10)14)20(18,19)12-4-2-11(15)3-5-12/h2-9H,15H2,1H3
InChIKeyOFUOYOQGXXXBHD-UHFFFAOYSA-N
XLogP2.16
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline?
The IUPAC name of 4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline (CID 71463517) is 4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline?
The canonical SMILES for 4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline is Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccncc12.
What is the InChIKey of 4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline?
The InChIKey is OFUOYOQGXXXBHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-10-9-17(14-6-7-16-8-13(10)14)20(18,19)12-4-2-11(15)3-5-12/h2-9H,15H2,1H3.
What are the key properties of 4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline?
4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline has a molecular weight of 287.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolo[3,2-c]pyridin-1-yl)sulfonylaniline is sourced from PubChem (CID 71463517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).