3-(5-methoxyindol-1-yl)sulfonylaniline

C15H14N2O3S — CID 71494345

IUPAC3-(5-methoxyindol-1-yl)sulfonylaniline
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(N)c2)c1
InChIInChI=1S/C15H14N2O3S/c1-20-13-5-6-15-11(9-13)7-8-17(15)21(18,19)14-4-2-3-12(16)10-14/h2-10H,16H2,1H3
InChIKeyRXRNCQHYGRYIOF-UHFFFAOYSA-N
MW302.36 g/mol
LogP2.47
Rot. Bonds3

About 3-(5-methoxyindol-1-yl)sulfonylaniline

3-(5-methoxyindol-1-yl)sulfonylaniline (PubChem CID 71494345) has the molecular formula C15H14N2O3S and a molecular weight of 302.36 g/mol. Its IUPAC name is 3-(5-methoxyindol-1-yl)sulfonylaniline.

Molecular Properties

Compound Name3-(5-methoxyindol-1-yl)sulfonylaniline
PubChem CID71494345
Molecular FormulaC15H14N2O3S
Molecular Weight302.36 g/mol
Exact Mass302.07
IUPAC Name3-(5-methoxyindol-1-yl)sulfonylaniline
SMILESCOc1ccc2c(ccn2S(=O)(=O)c2cccc(N)c2)c1
InChIInChI=1S/C15H14N2O3S/c1-20-13-5-6-15-11(9-13)7-8-17(15)21(18,19)14-4-2-3-12(16)10-14/h2-10H,16H2,1H3
InChIKeyRXRNCQHYGRYIOF-UHFFFAOYSA-N
XLogP2.47
TPSA74.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.36
LogP ≤ 52.47
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 3-(5-methoxyindol-1-yl)sulfonylaniline?
The IUPAC name of 3-(5-methoxyindol-1-yl)sulfonylaniline (CID 71494345) is 3-(5-methoxyindol-1-yl)sulfonylaniline.
What is the SMILES notation for 3-(5-methoxyindol-1-yl)sulfonylaniline?
The canonical SMILES for 3-(5-methoxyindol-1-yl)sulfonylaniline is COc1ccc2c(ccn2S(=O)(=O)c2cccc(N)c2)c1.
What is the InChIKey of 3-(5-methoxyindol-1-yl)sulfonylaniline?
The InChIKey is RXRNCQHYGRYIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3S/c1-20-13-5-6-15-11(9-13)7-8-17(15)21(18,19)14-4-2-3-12(16)10-14/h2-10H,16H2,1H3.
What are the key properties of 3-(5-methoxyindol-1-yl)sulfonylaniline?
3-(5-methoxyindol-1-yl)sulfonylaniline has a molecular weight of 302.36 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methoxyindol-1-yl)sulfonylaniline is sourced from PubChem (CID 71494345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).