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

C18H11ClFNO3S2 — CID 23602388

IUPACN-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C18H11ClFNO3S2/c19-13-8-11(20)5-6-14(13)21-18(22)15-7-10-9-26(23,24)16-4-2-1-3-12(16)17(10)25-15/h1-8H,9H2,(H,21,22)
InChIKeyJEVFOUKASBHKDO-UHFFFAOYSA-N
MW407.88 g/mol
LogP4.75
Rot. Bonds2

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

N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (PubChem CID 23602388) has the molecular formula C18H11ClFNO3S2 and a molecular weight of 407.88 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
PubChem CID23602388
Molecular FormulaC18H11ClFNO3S2
Molecular Weight407.88 g/mol
Exact Mass406.99
IUPAC NameN-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2
InChIInChI=1S/C18H11ClFNO3S2/c19-13-8-11(20)5-6-14(13)21-18(22)15-7-10-9-26(23,24)16-4-2-1-3-12(16)17(10)25-15/h1-8H,9H2,(H,21,22)
InChIKeyJEVFOUKASBHKDO-UHFFFAOYSA-N
XLogP4.75
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.88
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-[4-(phenylsulfonyl)-3-thienyl]-2-chlorobenzamide
CID 2819452
N-{2-chloro-4-[(phenylacetyl)amino]phenyl}-2-thiophenecarboxamide
CID 2226693
N-[3-chloro-4-[(2-phenylacetyl)amino]phenyl]thiophene-2-carboxamide
CID 3132084
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methylphenyl]-5-methylthiophene-2-carboxamide
CID 3926622
N-(3-chlorophenyl)-4-fluoro-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 4229681
N-methyl-N-phenyl-4H-thieno[3,2-c]thiochromene-2-carboxamide 5,5-dioxide
CID 6623680
7-chloro-N-(3-cyanophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 16012477
N-(2-fluorophenyl)-4H-thieno[3,2-c]thiochromene-2-carboxamide 5,5-dioxide
CID 16195488
N-(2-chlorophenyl)-3-phenylthiophene-2-carboxamide
CID 2521180
N-[3-[(4-chlorophenyl)sulfamoyl]phenyl]-4,5,6,7-tetrahydrobenzothiophene-2-carboxamide
CID 4145279
N-(2-fluorophenyl)-N-methyl-4H-thieno[3,2-c]thiochromene-2-carboxamide 5,5-dioxide
CID 16194004
N-(3-chlorophenyl)-N-methyl-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide
CID 45489317

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide (CID 23602388) is N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is O=C(Nc1ccc(F)cc1Cl)c1cc2c(s1)-c1ccccc1S(=O)(=O)C2.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
The InChIKey is JEVFOUKASBHKDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFNO3S2/c19-13-8-11(20)5-6-14(13)21-18(22)15-7-10-9-26(23,24)16-4-2-1-3-12(16)17(10)25-15/h1-8H,9H2,(H,21,22).
What are the key properties of N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide?
N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide has a molecular weight of 407.88 g/mol, XLogP of 4.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-5,5-dioxo-4H-thieno[3,2-c]thiochromene-2-carboxamide is sourced from PubChem (CID 23602388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).