N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide

C13H11N3O2S2 — CID 756494

IUPACN-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C13H11N3O2S2/c1-9-5-2-3-6-10(9)16-20(17,18)12-8-4-7-11-13(12)15-19-14-11/h2-8,16H,1H3
InChIKeyNASVSEUMDJJWHM-UHFFFAOYSA-N
MW305.38 g/mol
LogP2.80
Rot. Bonds3

About N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide

N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide (PubChem CID 756494) has the molecular formula C13H11N3O2S2 and a molecular weight of 305.38 g/mol. Its IUPAC name is N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
PubChem CID756494
Molecular FormulaC13H11N3O2S2
Molecular Weight305.38 g/mol
Exact Mass305.03
IUPAC NameN-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
SMILESCc1ccccc1NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C13H11N3O2S2/c1-9-5-2-3-6-10(9)16-20(17,18)12-8-4-7-11-13(12)15-19-14-11/h2-8,16H,1H3
InChIKeyNASVSEUMDJJWHM-UHFFFAOYSA-N
XLogP2.80
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N-(2-ethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3626162
N-phenyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 3585479
2,1,3-Benzothiadiazole-4-sulfonamide
CID 1382090
N-cyclohexyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 692311
N-(4-fluorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 716427
N-(4-chlorophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 756492
N-(4-methyl-3-nitrophenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 1943929
N-(1-naphthyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 2814660
N-(3-chloro-2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3599499
N-(2-methylphenyl)-2,1,3-benzoxadiazole-4-sulfonamide
CID 6465446
N-(4-fluoro-2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 6467686
N-[2-(methylsulfanyl)phenyl]-2,1,3-benzoxadiazole-4-sulfonamide
CID 6468224

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The IUPAC name of N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide (CID 756494) is N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide.
What is the SMILES notation for N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The canonical SMILES for N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide is Cc1ccccc1NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
The InChIKey is NASVSEUMDJJWHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S2/c1-9-5-2-3-6-10(9)16-20(17,18)12-8-4-7-11-13(12)15-19-14-11/h2-8,16H,1H3.
What are the key properties of N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide?
N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide has a molecular weight of 305.38 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide is sourced from PubChem (CID 756494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).