3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide

C17H13ClFNO3S — CID 7152304

IUPAC3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide
SMILESO=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C17H13ClFNO3S/c18-13-3-1-2-12(10-13)17(21)20(15-6-4-14(19)5-7-15)16-8-9-24(22,23)11-16/h1-10,16H,11H2/t16-/m1/s1
InChIKeyMLLIFKHMLIJJKB-MRXNPFEDSA-N
MW365.81 g/mol
LogP3.44
Rot. Bonds3

About 3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide

3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide (PubChem CID 7152304) has the molecular formula C17H13ClFNO3S and a molecular weight of 365.81 g/mol. Its IUPAC name is 3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide
PubChem CID7152304
Molecular FormulaC17H13ClFNO3S
Molecular Weight365.81 g/mol
Exact Mass365.03
IUPAC Name3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide
SMILESO=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1
InChIInChI=1S/C17H13ClFNO3S/c18-13-3-1-2-12(10-13)17(21)20(15-6-4-14(19)5-7-15)16-8-9-24(22,23)11-16/h1-10,16H,11H2/t16-/m1/s1
InChIKeyMLLIFKHMLIJJKB-MRXNPFEDSA-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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Related Compounds

N-(3-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluorobenzamide
CID 40505446
N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
CID 18880283
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-fluoro-N-(4-fluorophenyl)benzamide
CID 40505743
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)-3-methoxybenzamide
CID 40505746
3-chloro-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-ethoxyphenyl)benzamide
CID 43954723
N-(4-chlorophenyl)-N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-(trifluoromethyl)benzamide
CID 27545952
4-bromo-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)-N-(4-fluorophenyl)benzamide
CID 44826563
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluoro-N-(4-methoxyphenyl)benzamide
CID 40505789
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-phenylbenzamide
CID 1382277
N-[(3S)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-3-fluoro-N-(3-methylphenyl)benzamide
CID 9196286
N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-4-fluoro-N-(4-methoxyphenyl)benzamide
CID 1218193
4-tert-butyl-N-(3-chlorophenyl)-N-(1,1-dioxo-2,3-dihydrothiophen-3-yl)benzamide
CID 43954685

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide (CID 7152304) is 3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide is O=C(c1cccc(Cl)c1)N(c1ccc(F)cc1)[C@@H]1C=CS(=O)(=O)C1.
What is the InChIKey of 3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide?
The InChIKey is MLLIFKHMLIJJKB-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H13ClFNO3S/c18-13-3-1-2-12(10-13)17(21)20(15-6-4-14(19)5-7-15)16-8-9-24(22,23)11-16/h1-10,16H,11H2/t16-/m1/s1.
What are the key properties of 3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide?
3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide 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 3-chloro-N-[(3R)-1,1-dioxo-2,3-dihydrothiophen-3-yl]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 7152304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).