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

C11H6Cl2N2O3S — CID 7120751

IUPAC2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6Cl2N2O3S/c12-9-5-8(10(13)19-9)11(16)14-6-1-3-7(4-2-6)15(17)18/h1-5H,(H,14,16)
InChIKeyQGPMMQGJELYWGU-UHFFFAOYSA-N
MW317.15 g/mol
LogP4.22
Rot. Bonds3

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

2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide (PubChem CID 7120751) has the molecular formula C11H6Cl2N2O3S and a molecular weight of 317.15 g/mol. Its IUPAC name is 2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide
PubChem CID7120751
Molecular FormulaC11H6Cl2N2O3S
Molecular Weight317.15 g/mol
Exact Mass315.95
IUPAC Name2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)sc1Cl
InChIInChI=1S/C11H6Cl2N2O3S/c12-9-5-8(10(13)19-9)11(16)14-6-1-3-7(4-2-6)15(17)18/h1-5H,(H,14,16)
InChIKeyQGPMMQGJELYWGU-UHFFFAOYSA-N
XLogP4.22
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.15
LogP ≤ 54.22
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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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide?
The IUPAC name of 2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide (CID 7120751) is 2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide is O=C(Nc1ccc([N+](=O)[O-])cc1)c1cc(Cl)sc1Cl.
What is the InChIKey of 2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide?
The InChIKey is QGPMMQGJELYWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Cl2N2O3S/c12-9-5-8(10(13)19-9)11(16)14-6-1-3-7(4-2-6)15(17)18/h1-5H,(H,14,16).
What are the key properties of 2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide?
2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide has a molecular weight of 317.15 g/mol, XLogP of 4.22, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(4-nitrophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 7120751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).