2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide

C16H16N3O4S2- — CID 4568733

IUPAC2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide
SMILESCCOc1ccc(OCC)c([N-]S(=O)(=O)c2cccc3nsnc23)c1
InChIInChI=1S/C16H16N3O4S2/c1-3-22-11-8-9-14(23-4-2)13(10-11)19-25(20,21)15-7-5-6-12-16(15)18-24-17-12/h5-10H,3-4H2,1-2H3/q-1
InChIKeyOMHLPWIDQQQTQS-UHFFFAOYSA-N
MW378.46 g/mol
LogP3.88
Rot. Bonds7

About 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide

2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide (PubChem CID 4568733) has the molecular formula C16H16N3O4S2- and a molecular weight of 378.46 g/mol. Its IUPAC name is 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide.

Molecular Properties

Compound Name2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide
PubChem CID4568733
Molecular FormulaC16H16N3O4S2-
Molecular Weight378.46 g/mol
Exact Mass378.06
IUPAC Name2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide
SMILESCCOc1ccc(OCC)c([N-]S(=O)(=O)c2cccc3nsnc23)c1
InChIInChI=1S/C16H16N3O4S2/c1-3-22-11-8-9-14(23-4-2)13(10-11)19-25(20,21)15-7-5-6-12-16(15)18-24-17-12/h5-10H,3-4H2,1-2H3/q-1
InChIKeyOMHLPWIDQQQTQS-UHFFFAOYSA-N
XLogP3.88
TPSA92.48 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.46
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide 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-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206227
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
(2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-(4-ethoxyphenyl)-4-methylsulfanylbutanamide
CID 2510495
sodium 2,1,3-benzothiadiazole-4-sulfonate
CID 70700530
[2-(2-ethoxyanilino)-2-oxoethyl] (2S)-2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)propanoate
CID 2110393
diethyl 5-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzene-1,3-dicarboxylate
CID 22773021
N-(4-methoxy-2-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 22202569
N-(2,1,3-benzothiadiazol-4-yl)-3,4,5-triethoxybenzamide
CID 4590084
N-[3-(aminomethyl)pentan-3-yl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 63888983
N-(2,6-dimethylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 5113255
ethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzoate
CID 22775148
N-[2-(difluoromethoxy)-5-methylphenyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 19684090

Frequently Asked Questions

What is the IUPAC name of 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide?
The IUPAC name of 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide (CID 4568733) is 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide.
What is the SMILES notation for 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide?
The canonical SMILES for 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide is CCOc1ccc(OCC)c([N-]S(=O)(=O)c2cccc3nsnc23)c1.
What is the InChIKey of 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide?
The InChIKey is OMHLPWIDQQQTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N3O4S2/c1-3-22-11-8-9-14(23-4-2)13(10-11)19-25(20,21)15-7-5-6-12-16(15)18-24-17-12/h5-10H,3-4H2,1-2H3/q-1.
What are the key properties of 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide?
2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide has a molecular weight of 378.46 g/mol, XLogP of 3.88, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,1,3-benzothiadiazol-4-ylsulfonyl-(2,5-diethoxyphenyl)azanide is sourced from PubChem (CID 4568733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).