6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline

C18H14N2O3S2 — CID 11667835

IUPAC6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline
SMILESCSc1nc2c(S(=O)(=O)c3ccccc3)cccc2c2onc(C)c12
InChIInChI=1S/C18H14N2O3S2/c1-11-15-17(23-20-11)13-9-6-10-14(16(13)19-18(15)24-2)25(21,22)12-7-4-3-5-8-12/h3-10H,1-2H3
InChIKeyYWAQIOYSHJDUEW-UHFFFAOYSA-N
MW370.46 g/mol
LogP4.24
Rot. Bonds3

About 6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline

6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline (PubChem CID 11667835) has the molecular formula C18H14N2O3S2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline.

Molecular Properties

Compound Name6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline
PubChem CID11667835
Molecular FormulaC18H14N2O3S2
Molecular Weight370.46 g/mol
Exact Mass370.04
IUPAC Name6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline
SMILESCSc1nc2c(S(=O)(=O)c3ccccc3)cccc2c2onc(C)c12
InChIInChI=1S/C18H14N2O3S2/c1-11-15-17(23-20-11)13-9-6-10-14(16(13)19-18(15)24-2)25(21,22)12-7-4-3-5-8-12/h3-10H,1-2H3
InChIKeyYWAQIOYSHJDUEW-UHFFFAOYSA-N
XLogP4.24
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline?
The IUPAC name of 6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline (CID 11667835) is 6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline.
What is the SMILES notation for 6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline?
The canonical SMILES for 6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline is CSc1nc2c(S(=O)(=O)c3ccccc3)cccc2c2onc(C)c12.
What is the InChIKey of 6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline?
The InChIKey is YWAQIOYSHJDUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N2O3S2/c1-11-15-17(23-20-11)13-9-6-10-14(16(13)19-18(15)24-2)25(21,22)12-7-4-3-5-8-12/h3-10H,1-2H3.
What are the key properties of 6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline?
6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline has a molecular weight of 370.46 g/mol, XLogP of 4.24, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzenesulfonyl)-3-methyl-4-methylsulfanyl-[1,2]oxazolo[4,5-c]quinoline is sourced from PubChem (CID 11667835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).