5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide

C11H5Cl3N2O3S — CID 110476546

IUPAC5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H5Cl3N2O3S/c12-5-2-1-3-6(13)9(5)15-11(17)8-4-7(16(18)19)10(14)20-8/h1-4H,(H,15,17)
InChIKeyPMNIOAJREBMAAD-UHFFFAOYSA-N
MW351.60 g/mol
LogP4.87
Rot. Bonds3

About 5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide

5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide (PubChem CID 110476546) has the molecular formula C11H5Cl3N2O3S and a molecular weight of 351.60 g/mol. Its IUPAC name is 5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide
PubChem CID110476546
Molecular FormulaC11H5Cl3N2O3S
Molecular Weight351.60 g/mol
Exact Mass349.91
IUPAC Name5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide
SMILESO=C(Nc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H5Cl3N2O3S/c12-5-2-1-3-6(13)9(5)15-11(17)8-4-7(16(18)19)10(14)20-8/h1-4H,(H,15,17)
InChIKeyPMNIOAJREBMAAD-UHFFFAOYSA-N
XLogP4.87
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.60
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(3-chlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476388
5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide
CID 84575839
5-chloro-N-(2,4-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476480
5-chloro-4-nitro-N-pyrimidin-5-ylthiophene-2-carboxamide
CID 112524129
5-chloro-4-nitro-N-(2,3,4-trifluorophenyl)thiophene-2-carboxamide
CID 84576319
5-chloro-N-(2-methyl-1H-indol-7-yl)-4-nitrothiophene-2-carboxamide
CID 112526748
N-(1H-benzimidazol-4-yl)-5-chloro-4-nitrothiophene-2-carboxamide
CID 112523084
4-amino-N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 25140841
N-(4-chloro-3-nitrophenyl)-N'-(2,6-dichlorophenyl)oxamide
CID 108512848
N-(2,6-dichlorophenyl)-3-nitrobenzamide
CID 784701
5-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-4-nitrothiophene-2-carboxamide
CID 84575934
5-chloro-4-nitro-N-(2,2,2-trifluoroethyl)thiophene-2-carboxamide
CID 112527699

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide (CID 110476546) is 5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide is O=C(Nc1c(Cl)cccc1Cl)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide?
The InChIKey is PMNIOAJREBMAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5Cl3N2O3S/c12-5-2-1-3-6(13)9(5)15-11(17)8-4-7(16(18)19)10(14)20-8/h1-4H,(H,15,17).
What are the key properties of 5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide?
5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide has a molecular weight of 351.60 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide is sourced from PubChem (CID 110476546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).