2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide

C14H12N4O3S2 — CID 51170144

IUPAC2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide
SMILESCN(c1ccccc1C(N)=O)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C14H12N4O3S2/c1-18(11-7-3-2-5-9(11)14(15)19)23(20,21)12-8-4-6-10-13(12)17-22-16-10/h2-8H,1H3,(H2,15,19)
InChIKeyLRDNZJSVXYZFIK-UHFFFAOYSA-N
MW348.41 g/mol
LogP1.62
Rot. Bonds4

About 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide

2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide (PubChem CID 51170144) has the molecular formula C14H12N4O3S2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide.

Molecular Properties

Compound Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide
PubChem CID51170144
Molecular FormulaC14H12N4O3S2
Molecular Weight348.41 g/mol
Exact Mass348.04
IUPAC Name2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide
SMILESCN(c1ccccc1C(N)=O)S(=O)(=O)c1cccc2nsnc12
InChIInChI=1S/C14H12N4O3S2/c1-18(11-7-3-2-5-9(11)14(15)19)23(20,21)12-8-4-6-10-13(12)17-22-16-10/h2-8H,1H3,(H2,15,19)
InChIKeyLRDNZJSVXYZFIK-UHFFFAOYSA-N
XLogP1.62
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[[2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]acetyl]amino]benzoate
CID 20856855
2-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 951596
2-[(2,6-difluorophenyl)sulfonyl-methylamino]benzamide
CID 31579746
sodium 2,1,3-benzothiadiazole-4-sulfonate
CID 70700530
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-iodobenzamide
CID 141141164
N-[2-(azepan-1-yl)-2-oxoethyl]-N-methyl-2,1,3-benzothiadiazole-4-sulfonamide
CID 20856851
2-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl-methylamino]benzamide
CID 17436993
N-[2-[4-(2,1,3-benzothiadiazol-4-ylsulfonyl)piperazine-1-carbonyl]phenyl]-N-methylcyclopropanecarboxamide
CID 55792264
ethyl 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)benzoate
CID 22775148
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-bromophenyl)-N-methylacetamide
CID 6619477
2-[methyl-[4-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 26950715
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]-N-(4-ethylphenyl)acetamide
CID 20856847

Frequently Asked Questions

What is the IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide?
The IUPAC name of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide (CID 51170144) is 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide.
What is the SMILES notation for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide?
The canonical SMILES for 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide is CN(c1ccccc1C(N)=O)S(=O)(=O)c1cccc2nsnc12.
What is the InChIKey of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide?
The InChIKey is LRDNZJSVXYZFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3S2/c1-18(11-7-3-2-5-9(11)14(15)19)23(20,21)12-8-4-6-10-13(12)17-22-16-10/h2-8H,1H3,(H2,15,19).
What are the key properties of 2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide?
2-[2,1,3-benzothiadiazol-4-ylsulfonyl(methyl)amino]benzamide has a molecular weight of 348.41 g/mol, XLogP of 1.62, 4 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-ylsulfonyl(methyl)amino]benzamide is sourced from PubChem (CID 51170144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).