7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide

C19H11ClF3NO3S2 — CID 23602609

IUPAC7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2
InChIInChI=1S/C19H11ClF3NO3S2/c20-12-4-5-14-16(8-12)29(26,27)9-10-6-15(28-17(10)14)18(25)24-13-3-1-2-11(7-13)19(21,22)23/h1-8H,9H2,(H,24,25)
InChIKeyFNYYZRPRSAZCRU-UHFFFAOYSA-N
MW457.88 g/mol
LogP5.63
Rot. Bonds2

About 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide

7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602609) has the molecular formula C19H11ClF3NO3S2 and a molecular weight of 457.88 g/mol. Its IUPAC name is 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound Name7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602609
Molecular FormulaC19H11ClF3NO3S2
Molecular Weight457.88 g/mol
Exact Mass456.98
IUPAC Name7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2
InChIInChI=1S/C19H11ClF3NO3S2/c20-12-4-5-14-16(8-12)29(26,27)9-10-6-15(28-17(10)14)18(25)24-13-3-1-2-11(7-13)19(21,22)23/h1-8H,9H2,(H,24,25)
InChIKeyFNYYZRPRSAZCRU-UHFFFAOYSA-N
XLogP5.63
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.88
LogP ≤ 55.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide with MolForge

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Related Compounds

7-chloro-N-(4-ethylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602657
N-(3-fluoro-4-methylphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602382
4-chloro-2-fluoro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 26274156
N-(4-methoxyphenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 23602484
5-chloro-N-[3-(trifluoromethyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625234
2-amino-N-[3-(trifluoromethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 141271063
4-chloro-2-nitro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1105898
5-(3-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]-1,3,4-oxadiazole-2-carboxamide
CID 110391456
5-amino-2-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 28543225
chlorobenzene;[3-(trifluoromethyl)phenyl]carbamic acid
CID 174624155
2-(4-chlorophenyl)-N-[3-(trifluoromethyl)phenyl]acetamide
CID 2666418
3-bromo-5-chloro-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107951405

Frequently Asked Questions

What is the IUPAC name of 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602609) is 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide is O=C(Nc1cccc(C(F)(F)F)c1)c1cc2c(s1)-c1ccc(Cl)cc1S(=O)(=O)C2.
What is the InChIKey of 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is FNYYZRPRSAZCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF3NO3S2/c20-12-4-5-14-16(8-12)29(26,27)9-10-6-15(28-17(10)14)18(25)24-13-3-1-2-11(7-13)19(21,22)23/h1-8H,9H2,(H,24,25).
What are the key properties of 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide?
7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 457.88 g/mol, XLogP of 5.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5,5-dioxo-N-[3-(trifluoromethyl)phenyl]-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).