N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide

C13H11N3O4S2 — CID 2821522

IUPACN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1cccc2nonc12)c1ccccc1
InChIInChI=1S/C13H11N3O4S2/c1-21(17,10-6-3-2-4-7-10)16-22(18,19)12-9-5-8-11-13(12)15-20-14-11/h2-9H,1H3
InChIKeyFVUIPEALCMUFQV-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.07
Rot. Bonds3

About N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide

N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide (PubChem CID 2821522) has the molecular formula C13H11N3O4S2 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide.

Molecular Properties

Compound NameN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide
PubChem CID2821522
Molecular FormulaC13H11N3O4S2
Molecular Weight337.38 g/mol
Exact Mass337.02
IUPAC NameN-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide
SMILESCS(=O)(=NS(=O)(=O)c1cccc2nonc12)c1ccccc1
InChIInChI=1S/C13H11N3O4S2/c1-21(17,10-6-3-2-4-7-10)16-22(18,19)12-9-5-8-11-13(12)15-20-14-11/h2-9H,1H3
InChIKeyFVUIPEALCMUFQV-UHFFFAOYSA-N
XLogP2.07
TPSA102.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide?
The IUPAC name of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide (CID 2821522) is N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide.
What is the SMILES notation for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide?
The canonical SMILES for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide is CS(=O)(=NS(=O)(=O)c1cccc2nonc12)c1ccccc1.
What is the InChIKey of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide?
The InChIKey is FVUIPEALCMUFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O4S2/c1-21(17,10-6-3-2-4-7-10)16-22(18,19)12-9-5-8-11-13(12)15-20-14-11/h2-9H,1H3.
What are the key properties of N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide?
N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide has a molecular weight of 337.38 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(methyl-oxo-phenyl-lambda6-sulfanylidene)-2,1,3-benzoxadiazole-4-sulfonamide is sourced from PubChem (CID 2821522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).