benzamide;bis(1,2,3-benzothiadiazole)

C19H15N5OS2 — CID 175464234

IUPACbenzamide;bis(1,2,3-benzothiadiazole)
SMILESNC(=O)c1ccccc1.c1ccc2snnc2c1.c1ccc2snnc2c1
InChIInChI=1S/C7H7NO.2C6H4N2S/c8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5(3-1)7-8-9-6/h1-5H,(H2,8,9);2*1-4H
InChIKeyCQZVSTFGRCZWQR-UHFFFAOYSA-N
MW393.50 g/mol
LogP4.17
Rot. Bonds1

About benzamide;bis(1,2,3-benzothiadiazole)

benzamide;bis(1,2,3-benzothiadiazole) (PubChem CID 175464234) has the molecular formula C19H15N5OS2 and a molecular weight of 393.50 g/mol. Its IUPAC name is benzamide;bis(1,2,3-benzothiadiazole).

Molecular Properties

Compound Namebenzamide;bis(1,2,3-benzothiadiazole)
PubChem CID175464234
Molecular FormulaC19H15N5OS2
Molecular Weight393.50 g/mol
Exact Mass393.07
IUPAC Namebenzamide;bis(1,2,3-benzothiadiazole)
SMILESNC(=O)c1ccccc1.c1ccc2snnc2c1.c1ccc2snnc2c1
InChIInChI=1S/C7H7NO.2C6H4N2S/c8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5(3-1)7-8-9-6/h1-5H,(H2,8,9);2*1-4H
InChIKeyCQZVSTFGRCZWQR-UHFFFAOYSA-N
XLogP4.17
TPSA94.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.50
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,2,3-benzothiadiazole;formamide
CID 158513701
benzamide;ethene
CID 143479548
benzamide;hydron
CID 68819060
CID 67738089
CID 67738089
CID 174718782
CID 174718782
benzamide;pyrazine
CID 67119172
1,2,3-benzothiadiazole;1,3-benzothiazole
CID 66777460
benzamide;pyridine-4-carboxamide
CID 175267661
benzamide;thiophene
CID 67043300
1,2,3-benzothiadiazole-6-carbonyl chloride
CID 154106567
dipotassium;benzamide;carbonate
CID 159256468
benzamide;dimethyltin
CID 174591280

Frequently Asked Questions

What is the IUPAC name of benzamide;bis(1,2,3-benzothiadiazole)?
The IUPAC name of benzamide;bis(1,2,3-benzothiadiazole) (CID 175464234) is benzamide;bis(1,2,3-benzothiadiazole).
What is the SMILES notation for benzamide;bis(1,2,3-benzothiadiazole)?
The canonical SMILES for benzamide;bis(1,2,3-benzothiadiazole) is NC(=O)c1ccccc1.c1ccc2snnc2c1.c1ccc2snnc2c1.
What is the InChIKey of benzamide;bis(1,2,3-benzothiadiazole)?
The InChIKey is CQZVSTFGRCZWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO.2C6H4N2S/c8-7(9)6-4-2-1-3-5-6;2*1-2-4-6-5(3-1)7-8-9-6/h1-5H,(H2,8,9);2*1-4H.
What are the key properties of benzamide;bis(1,2,3-benzothiadiazole)?
benzamide;bis(1,2,3-benzothiadiazole) has a molecular weight of 393.50 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzamide;bis(1,2,3-benzothiadiazole) is sourced from PubChem (CID 175464234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).