3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide

C17H13Cl2NO2S — CID 3743058

IUPAC3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide
SMILESCc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(Cl)c(Cl)c1)CS2
InChIInChI=1S/C17H13Cl2NO2S/c1-9-2-5-15-11(6-9)16(21)14(8-23-15)20-17(22)10-3-4-12(18)13(19)7-10/h2-7,14H,8H2,1H3,(H,20,22)
InChIKeyFMLLEKBBEOZUAZ-UHFFFAOYSA-N
MW366.27 g/mol
LogP4.39
Rot. Bonds2

About 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide

3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide (PubChem CID 3743058) has the molecular formula C17H13Cl2NO2S and a molecular weight of 366.27 g/mol. Its IUPAC name is 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide.

Molecular Properties

Compound Name3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide
PubChem CID3743058
Molecular FormulaC17H13Cl2NO2S
Molecular Weight366.27 g/mol
Exact Mass365.00
IUPAC Name3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide
SMILESCc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(Cl)c(Cl)c1)CS2
InChIInChI=1S/C17H13Cl2NO2S/c1-9-2-5-15-11(6-9)16(21)14(8-23-15)20-17(22)10-3-4-12(18)13(19)7-10/h2-7,14H,8H2,1H3,(H,20,22)
InChIKeyFMLLEKBBEOZUAZ-UHFFFAOYSA-N
XLogP4.39
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.27
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
The IUPAC name of 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide (CID 3743058) is 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide.
What is the SMILES notation for 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
The canonical SMILES for 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide is Cc1ccc2c(c1)C(=O)C(NC(=O)c1ccc(Cl)c(Cl)c1)CS2.
What is the InChIKey of 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
The InChIKey is FMLLEKBBEOZUAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2NO2S/c1-9-2-5-15-11(6-9)16(21)14(8-23-15)20-17(22)10-3-4-12(18)13(19)7-10/h2-7,14H,8H2,1H3,(H,20,22).
What are the key properties of 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide?
3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide has a molecular weight of 366.27 g/mol, XLogP of 4.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dichloro-N-(6-methyl-4-oxo-2,3-dihydrothiochromen-3-yl)benzamide is sourced from PubChem (CID 3743058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).