4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide

C16H16N4O3S2 — CID 55905079

IUPAC4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNS(=O)(=O)c2cccc3nsnc23)cc1
InChIInChI=1S/C16H16N4O3S2/c1-2-17-16(21)12-8-6-11(7-9-12)10-18-25(22,23)14-5-3-4-13-15(14)20-24-19-13/h3-9,18H,2,10H2,1H3,(H,17,21)
InChIKeyKHCOXUFDCSWJHS-UHFFFAOYSA-N
MW376.46 g/mol
LogP1.92
Rot. Bonds6

About 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide

4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide (PubChem CID 55905079) has the molecular formula C16H16N4O3S2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide.

Molecular Properties

Compound Name4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide
PubChem CID55905079
Molecular FormulaC16H16N4O3S2
Molecular Weight376.46 g/mol
Exact Mass376.07
IUPAC Name4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide
SMILESCCNC(=O)c1ccc(CNS(=O)(=O)c2cccc3nsnc23)cc1
InChIInChI=1S/C16H16N4O3S2/c1-2-17-16(21)12-8-6-11(7-9-12)10-18-25(22,23)14-5-3-4-13-15(14)20-24-19-13/h3-9,18H,2,10H2,1H3,(H,17,21)
InChIKeyKHCOXUFDCSWJHS-UHFFFAOYSA-N
XLogP1.92
TPSA101.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-diethoxyphenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 22206227
N-[[4-(difluoromethoxy)phenyl]methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 43025858
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 71890485
N-ethyl-4-[[[2-(trifluoromethoxy)phenyl]sulfonylamino]methyl]benzamide
CID 60539441
N-[2-(methylamino)ethyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 62657997
4-[[(2,4-dibromophenyl)sulfonylamino]methyl]-N-ethylbenzamide
CID 55906367
N-[(2-bromophenyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 61413865
N-(4-acetylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 3621069
N-ethyl-4-[[(4-sulfamoylphenyl)sulfonylamino]methyl]benzamide
CID 55904950
N-(2,1,3-benzothiadiazol-4-ylsulfonyl)pentanamide
CID 47271327
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-4-chloro-N-[(4-chlorophenyl)methyl]benzamide
CID 25014170
N-[(5-cyclopropyl-3-pyridinyl)methyl]-2,1,3-benzothiadiazole-4-sulfonamide
CID 122246938

Frequently Asked Questions

What is the IUPAC name of 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide?
The IUPAC name of 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide (CID 55905079) is 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide.
What is the SMILES notation for 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide?
The canonical SMILES for 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide is CCNC(=O)c1ccc(CNS(=O)(=O)c2cccc3nsnc23)cc1.
What is the InChIKey of 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide?
The InChIKey is KHCOXUFDCSWJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3S2/c1-2-17-16(21)12-8-6-11(7-9-12)10-18-25(22,23)14-5-3-4-13-15(14)20-24-19-13/h3-9,18H,2,10H2,1H3,(H,17,21).
What are the key properties of 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide?
4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide has a molecular weight of 376.46 g/mol, XLogP of 1.92, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,1,3-benzothiadiazol-4-ylsulfonylamino)methyl]-N-ethylbenzamide is sourced from PubChem (CID 55905079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).