4-(3-methylindol-1-yl)sulfonylaniline

C15H14N2O2S — CID 10356663

IUPAC4-(3-methylindol-1-yl)sulfonylaniline
SMILESCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C15H14N2O2S/c1-11-10-17(15-5-3-2-4-14(11)15)20(18,19)13-8-6-12(16)7-9-13/h2-10H,16H2,1H3
InChIKeyZNRJXSHXWJKTGJ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.77
Rot. Bonds2

About 4-(3-methylindol-1-yl)sulfonylaniline

4-(3-methylindol-1-yl)sulfonylaniline (PubChem CID 10356663) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 4-(3-methylindol-1-yl)sulfonylaniline.

Molecular Properties

Compound Name4-(3-methylindol-1-yl)sulfonylaniline
PubChem CID10356663
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name4-(3-methylindol-1-yl)sulfonylaniline
SMILESCc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12
InChIInChI=1S/C15H14N2O2S/c1-11-10-17(15-5-3-2-4-14(11)15)20(18,19)13-8-6-12(16)7-9-13/h2-10H,16H2,1H3
InChIKeyZNRJXSHXWJKTGJ-UHFFFAOYSA-N
XLogP2.77
TPSA65.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-methylindol-1-yl)sulfonylaniline?
The IUPAC name of 4-(3-methylindol-1-yl)sulfonylaniline (CID 10356663) is 4-(3-methylindol-1-yl)sulfonylaniline.
What is the SMILES notation for 4-(3-methylindol-1-yl)sulfonylaniline?
The canonical SMILES for 4-(3-methylindol-1-yl)sulfonylaniline is Cc1cn(S(=O)(=O)c2ccc(N)cc2)c2ccccc12.
What is the InChIKey of 4-(3-methylindol-1-yl)sulfonylaniline?
The InChIKey is ZNRJXSHXWJKTGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11-10-17(15-5-3-2-4-14(11)15)20(18,19)13-8-6-12(16)7-9-13/h2-10H,16H2,1H3.
What are the key properties of 4-(3-methylindol-1-yl)sulfonylaniline?
4-(3-methylindol-1-yl)sulfonylaniline has a molecular weight of 286.36 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylindol-1-yl)sulfonylaniline is sourced from PubChem (CID 10356663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).