N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide

C14H11N3O2S2 — CID 2823340

IUPACN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide
SMILESCS(=O)(=NC(=O)c1ccc2nnsc2c1)c1ccccc1
InChIInChI=1S/C14H11N3O2S2/c1-21(19,11-5-3-2-4-6-11)16-14(18)10-7-8-12-13(9-10)20-17-15-12/h2-9H,1H3
InChIKeyFRTBVXSXQQGYMC-UHFFFAOYSA-N
MW317.40 g/mol
LogP2.99
Rot. Bonds2

About N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide

N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide (PubChem CID 2823340) has the molecular formula C14H11N3O2S2 and a molecular weight of 317.40 g/mol. Its IUPAC name is N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide.

Molecular Properties

Compound NameN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide
PubChem CID2823340
Molecular FormulaC14H11N3O2S2
Molecular Weight317.40 g/mol
Exact Mass317.03
IUPAC NameN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide
SMILESCS(=O)(=NC(=O)c1ccc2nnsc2c1)c1ccccc1
InChIInChI=1S/C14H11N3O2S2/c1-21(19,11-5-3-2-4-6-11)16-14(18)10-7-8-12-13(9-10)20-17-15-12/h2-9H,1H3
InChIKeyFRTBVXSXQQGYMC-UHFFFAOYSA-N
XLogP2.99
TPSA72.28 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide?
The IUPAC name of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide (CID 2823340) is N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide.
What is the SMILES notation for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide?
The canonical SMILES for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide is CS(=O)(=NC(=O)c1ccc2nnsc2c1)c1ccccc1.
What is the InChIKey of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide?
The InChIKey is FRTBVXSXQQGYMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3O2S2/c1-21(19,11-5-3-2-4-6-11)16-14(18)10-7-8-12-13(9-10)20-17-15-12/h2-9H,1H3.
What are the key properties of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide?
N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide has a molecular weight of 317.40 g/mol, XLogP of 2.99, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-1,2,3-benzothiadiazole-6-carboxamide is sourced from PubChem (CID 2823340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).