5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide

C11H6Cl3NO2S — CID 82884384

IUPAC5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H6Cl3NO2S/c12-6-3-5(4-7(13)10(6)16)15-11(17)8-1-2-9(14)18-8/h1-4,16H,(H,15,17)
InChIKeyLLYZONXYMVKYJJ-UHFFFAOYSA-N
MW322.60 g/mol
LogP4.67
Rot. Bonds2

About 5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide

5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide (PubChem CID 82884384) has the molecular formula C11H6Cl3NO2S and a molecular weight of 322.60 g/mol. Its IUPAC name is 5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide
PubChem CID82884384
Molecular FormulaC11H6Cl3NO2S
Molecular Weight322.60 g/mol
Exact Mass320.92
IUPAC Name5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide
SMILESO=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)s1
InChIInChI=1S/C11H6Cl3NO2S/c12-6-3-5(4-7(13)10(6)16)15-11(17)8-1-2-9(14)18-8/h1-4,16H,(H,15,17)
InChIKeyLLYZONXYMVKYJJ-UHFFFAOYSA-N
XLogP4.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.60
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-amino-5-fluorophenyl)-5-chlorothiophene-2-carboxamide
CID 107334076
4-[(5-chlorothiophene-2-carbonyl)amino]-2-hydroxybenzoic acid
CID 43358268
4-[(5-chlorothiophene-2-carbonyl)amino]benzoic acid
CID 43091739
5-chloro-N-(2-methylpyrimidin-5-yl)thiophene-2-carboxamide
CID 112524186
4-chloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 5119664
3,4-dichloro-N-(3,5-dichloro-4-hydroxyphenyl)benzamide
CID 82885265
5-chloro-N-[5-chloro-2-(trifluoromethyl)-3,4-dihydro-1H-isoquinolin-7-yl]thiophene-2-carboxamide
CID 151524714
5-chloro-N-(2-chloro-5-sulfamoylphenyl)thiophene-2-carboxamide
CID 62276709
N-(3-chloro-4-hydroxyphenyl)-5-methylthiophene-2-carboxamide
CID 63935507
5-chloro-N-(3,4-diethoxyphenyl)thiophene-2-carboxamide
CID 26212642
5-chloro-N-(2-methyl-1,3-dioxoisoindol-5-yl)thiophene-2-carboxamide
CID 31508122
5-chloro-N-[4-(methylsulfamoyl)phenyl]thiophene-2-carboxamide
CID 4802431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide (CID 82884384) is 5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide is O=C(Nc1cc(Cl)c(O)c(Cl)c1)c1ccc(Cl)s1.
What is the InChIKey of 5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide?
The InChIKey is LLYZONXYMVKYJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl3NO2S/c12-6-3-5(4-7(13)10(6)16)15-11(17)8-1-2-9(14)18-8/h1-4,16H,(H,15,17).
What are the key properties of 5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide?
5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide has a molecular weight of 322.60 g/mol, XLogP of 4.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(3,5-dichloro-4-hydroxyphenyl)thiophene-2-carboxamide is sourced from PubChem (CID 82884384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).