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

C15H7Cl4NOS — CID 3129384

IUPAC3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H7Cl4NOS/c16-7-1-3-9-12(5-7)22-14(13(9)19)15(21)20-8-2-4-10(17)11(18)6-8/h1-6H,(H,20,21)
InChIKeyBTLAJGGHCAKSPN-UHFFFAOYSA-N
MW391.11 g/mol
LogP6.77
Rot. Bonds2

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

3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide (PubChem CID 3129384) has the molecular formula C15H7Cl4NOS and a molecular weight of 391.11 g/mol. Its IUPAC name is 3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
PubChem CID3129384
Molecular FormulaC15H7Cl4NOS
Molecular Weight391.11 g/mol
Exact Mass388.90
IUPAC Name3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl
InChIInChI=1S/C15H7Cl4NOS/c16-7-1-3-9-12(5-7)22-14(13(9)19)15(21)20-8-2-4-10(17)11(18)6-8/h1-6H,(H,20,21)
InChIKeyBTLAJGGHCAKSPN-UHFFFAOYSA-N
XLogP6.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.11
LogP ≤ 56.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3,6-dichloro-N-[4-(methylcarbamoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 9091464
3,6-dichloro-N-(2,4-dichlorophenyl)-1-benzothiophene-2-carboxamide
CID 3618411
3,6-dichloro-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-1-benzothiophene-2-carboxamide
CID 2032151
3,6-dichloro-N-[2-(4-chlorophenyl)benzotriazol-5-yl]-1-benzothiophene-2-carboxamide
CID 3534292
3,6-dichloro-N-(6-methoxy-3-pyridinyl)-1-benzothiophene-2-carboxamide
CID 2373929
3,6-dichloro-N-[4-(difluoromethoxy)phenyl]-1-benzothiophene-2-carboxamide
CID 9084516
N-[4-(4-butanoylpiperazin-1-yl)-3-chlorophenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 4209353
N-(2-aminophenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 91687360
3,6-dichloro-N-ethyl-1-benzothiophene-2-carboxamide
CID 47099946
ethyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]benzoate
CID 4237522
N-[5-(1,3-benzothiazol-2-yl)-2-chlorophenyl]-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 3888323
N-(4-acetamido-2-morpholin-4-ylphenyl)-3,6-dichloro-1-benzothiophene-2-carboxamide
CID 30490845

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide (CID 3129384) is 3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1sc2cc(Cl)ccc2c1Cl.
What is the InChIKey of 3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide?
The InChIKey is BTLAJGGHCAKSPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Cl4NOS/c16-7-1-3-9-12(5-7)22-14(13(9)19)15(21)20-8-2-4-10(17)11(18)6-8/h1-6H,(H,20,21).
What are the key properties of 3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide?
3,6-dichloro-N-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide has a molecular weight of 391.11 g/mol, XLogP of 6.77, 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-(3,4-dichlorophenyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 3129384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).