N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide

C17H13ClFNO3S — CID 2856921

IUPACN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H13ClFNO3S/c18-13-3-7-15(8-4-13)20(16-9-10-24(22,23)11-16)17(21)12-1-5-14(19)6-2-12/h1-10,16H,11H2
InChIKeyQJFFYXDDNQUCCY-UHFFFAOYSA-N
MW365.81 g/mol
LogP3.44
Rot. Bonds3

About N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide

N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide (PubChem CID 2856921) has the molecular formula C17H13ClFNO3S and a molecular weight of 365.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide
PubChem CID2856921
Molecular FormulaC17H13ClFNO3S
Molecular Weight365.81 g/mol
Exact Mass365.03
IUPAC NameN-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide
SMILESO=C(c1ccc(F)cc1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1
InChIInChI=1S/C17H13ClFNO3S/c18-13-3-7-15(8-4-13)20(16-9-10-24(22,23)11-16)17(21)12-1-5-14(19)6-2-12/h1-10,16H,11H2
InChIKeyQJFFYXDDNQUCCY-UHFFFAOYSA-N
XLogP3.44
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.81
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide?
The IUPAC name of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide (CID 2856921) is N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide is O=C(c1ccc(F)cc1)N(c1ccc(Cl)cc1)C1C=CS(=O)(=O)C1.
What is the InChIKey of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide?
The InChIKey is QJFFYXDDNQUCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClFNO3S/c18-13-3-7-15(8-4-13)20(16-9-10-24(22,23)11-16)17(21)12-1-5-14(19)6-2-12/h1-10,16H,11H2.
What are the key properties of N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide?
N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide has a molecular weight of 365.81 g/mol, XLogP of 3.44, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-4-fluorobenzamide is sourced from PubChem (CID 2856921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).