3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide

C15H7Cl2F2NOS — CID 1093481

IUPAC3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H7Cl2F2NOS/c16-7-1-3-9-12(5-7)22-14(13(9)17)15(21)20-11-4-2-8(18)6-10(11)19/h1-6H,(H,20,21)
InChIKeyYCYQFGUXHNJZEL-UHFFFAOYSA-N
MW358.20 g/mol
LogP5.74
Rot. Bonds2

About 3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide

3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 1093481) has the molecular formula C15H7Cl2F2NOS and a molecular weight of 358.20 g/mol. Its IUPAC name is 3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID1093481
Molecular FormulaC15H7Cl2F2NOS
Molecular Weight358.20 g/mol
Exact Mass356.96
IUPAC Name3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(F)cc1F)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H7Cl2F2NOS/c16-7-1-3-9-12(5-7)22-14(13(9)17)15(21)20-11-4-2-8(18)6-10(11)19/h1-6H,(H,20,21)
InChIKeyYCYQFGUXHNJZEL-UHFFFAOYSA-N
XLogP5.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide (CID 1093481) is 3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(F)cc1F)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is YCYQFGUXHNJZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl2F2NOS/c16-7-1-3-9-12(5-7)22-14(13(9)17)15(21)20-11-4-2-8(18)6-10(11)19/h1-6H,(H,20,21).
What are the key properties of 3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 358.20 g/mol, XLogP of 5.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2,4-difluorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 1093481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).