4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole

C15H13N3O2S2 — CID 2943305

IUPAC4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C15H13N3O2S2/c1-10-9-11-5-2-3-7-13(11)18(10)22(19,20)14-8-4-6-12-15(14)17-21-16-12/h2-8,10H,9H2,1H3
InChIKeyCVIUMGCPNZDTIU-UHFFFAOYSA-N
MW331.42 g/mol
LogP2.83
Rot. Bonds2

About 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole

4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole (PubChem CID 2943305) has the molecular formula C15H13N3O2S2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole
PubChem CID2943305
Molecular FormulaC15H13N3O2S2
Molecular Weight331.42 g/mol
Exact Mass331.04
IUPAC Name4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole
SMILESCC1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C15H13N3O2S2/c1-10-9-11-5-2-3-7-13(11)18(10)22(19,20)14-8-4-6-12-15(14)17-21-16-12/h2-8,10H,9H2,1H3
InChIKeyCVIUMGCPNZDTIU-UHFFFAOYSA-N
XLogP2.83
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diazox_sulfon_A(36)', 'substructure': 'N/A'}

Analyze 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole?
The IUPAC name of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole (CID 2943305) is 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole?
The canonical SMILES for 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole is CC1Cc2ccccc2N1S(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole?
The InChIKey is CVIUMGCPNZDTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2S2/c1-10-9-11-5-2-3-7-13(11)18(10)22(19,20)14-8-4-6-12-15(14)17-21-16-12/h2-8,10H,9H2,1H3.
What are the key properties of 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole?
4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole has a molecular weight of 331.42 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-2,3-dihydroindol-1-yl)sulfonyl]-2,1,3-benzothiadiazole is sourced from PubChem (CID 2943305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).