2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide

C18H15ClFNO3S — CID 43954713

IUPAC2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C(=O)c2c(F)cccc2Cl)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C18H15ClFNO3S/c1-12-5-7-13(8-6-12)21(14-9-10-25(23,24)11-14)18(22)17-15(19)3-2-4-16(17)20/h2-10,14H,11H2,1H3
InChIKeyMIHGTZWUQDCGHX-UHFFFAOYSA-N
MW379.84 g/mol
LogP3.75
Rot. Bonds3

About 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide

2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide (PubChem CID 43954713) has the molecular formula C18H15ClFNO3S and a molecular weight of 379.84 g/mol. Its IUPAC name is 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide.

Molecular Properties

Compound Name2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide
PubChem CID43954713
Molecular FormulaC18H15ClFNO3S
Molecular Weight379.84 g/mol
Exact Mass379.04
IUPAC Name2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide
SMILESCc1ccc(N(C(=O)c2c(F)cccc2Cl)C2C=CS(=O)(=O)C2)cc1
InChIInChI=1S/C18H15ClFNO3S/c1-12-5-7-13(8-6-12)21(14-9-10-25(23,24)11-14)18(22)17-15(19)3-2-4-16(17)20/h2-10,14H,11H2,1H3
InChIKeyMIHGTZWUQDCGHX-UHFFFAOYSA-N
XLogP3.75
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.84
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide?
The IUPAC name of 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide (CID 43954713) is 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide.
What is the SMILES notation for 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide?
The canonical SMILES for 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide is Cc1ccc(N(C(=O)c2c(F)cccc2Cl)C2C=CS(=O)(=O)C2)cc1.
What is the InChIKey of 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide?
The InChIKey is MIHGTZWUQDCGHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClFNO3S/c1-12-5-7-13(8-6-12)21(14-9-10-25(23,24)11-14)18(22)17-15(19)3-2-4-16(17)20/h2-10,14H,11H2,1H3.
What are the key properties of 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide?
2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide has a molecular weight of 379.84 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-6-fluoro-N-(4-methylphenyl)benzamide is sourced from PubChem (CID 43954713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).