2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide

C21H17ClN4O3S2 — CID 11363465

IUPAC2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C21H17ClN4O3S2/c1-26(13-14-6-3-2-4-7-14)21(27)16-11-10-15(22)12-18(16)25-31(28,29)19-9-5-8-17-20(19)24-30-23-17/h2-12,25H,13H2,1H3
InChIKeyJMMVFKHCJVTTMG-UHFFFAOYSA-N
MW472.98 g/mol
LogP4.42
Rot. Bonds6

About 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide

2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide (PubChem CID 11363465) has the molecular formula C21H17ClN4O3S2 and a molecular weight of 472.98 g/mol. Its IUPAC name is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide.

Molecular Properties

Compound Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide
PubChem CID11363465
Molecular FormulaC21H17ClN4O3S2
Molecular Weight472.98 g/mol
Exact Mass472.04
IUPAC Name2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide
SMILESCN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C21H17ClN4O3S2/c1-26(13-14-6-3-2-4-7-14)21(27)16-11-10-15(22)12-18(16)25-31(28,29)19-9-5-8-17-20(19)24-30-23-17/h2-12,25H,13H2,1H3
InChIKeyJMMVFKHCJVTTMG-UHFFFAOYSA-N
XLogP4.42
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.98
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide 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 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide?
The IUPAC name of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide (CID 11363465) is 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide.
What is the SMILES notation for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide?
The canonical SMILES for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide is CN(Cc1ccccc1)C(=O)c1ccc(Cl)cc1NS(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide?
The InChIKey is JMMVFKHCJVTTMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O3S2/c1-26(13-14-6-3-2-4-7-14)21(27)16-11-10-15(22)12-18(16)25-31(28,29)19-9-5-8-17-20(19)24-30-23-17/h2-12,25H,13H2,1H3.
What are the key properties of 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide?
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide has a molecular weight of 472.98 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-N-benzyl-4-chloro-N-methylbenzamide is sourced from PubChem (CID 11363465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).