5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide

C11H7ClN2O4S — CID 84575839

IUPAC5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H7ClN2O4S/c12-10-7(14(17)18)5-9(19-10)11(16)13-6-3-1-2-4-8(6)15/h1-5,15H,(H,13,16)
InChIKeyRPZMBSUTNJTBJN-UHFFFAOYSA-N
MW298.71 g/mol
LogP3.27
Rot. Bonds3

About 5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide

5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide (PubChem CID 84575839) has the molecular formula C11H7ClN2O4S and a molecular weight of 298.71 g/mol. Its IUPAC name is 5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide
PubChem CID84575839
Molecular FormulaC11H7ClN2O4S
Molecular Weight298.71 g/mol
Exact Mass297.98
IUPAC Name5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1O)c1cc([N+](=O)[O-])c(Cl)s1
InChIInChI=1S/C11H7ClN2O4S/c12-10-7(14(17)18)5-9(19-10)11(16)13-6-3-1-2-4-8(6)15/h1-5,15H,(H,13,16)
InChIKeyRPZMBSUTNJTBJN-UHFFFAOYSA-N
XLogP3.27
TPSA92.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.71
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}, {'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-(2,4-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476480
5-chloro-N-(2,6-dichlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476546
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
5-chloro-N-(3-chlorophenyl)-4-nitrothiophene-2-carboxamide
CID 110476388
N-(1H-benzimidazol-4-yl)-5-chloro-4-nitrothiophene-2-carboxamide
CID 112523084
5-chloro-4-nitro-N-pyrimidin-5-ylthiophene-2-carboxamide
CID 112524129
N-[2-(methoxymethyl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 47047327
N-[2-(ethylaminomethyl)phenyl]-5-methyl-4-nitrothiophene-2-carboxamide
CID 119439963
5-chloro-4-nitro-N-(2-pyridin-2-ylethyl)thiophene-2-carboxamide
CID 112530264
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-hydroxyphenyl)-4-nitrothiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide (CID 84575839) is 5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide is O=C(Nc1ccccc1O)c1cc([N+](=O)[O-])c(Cl)s1.
What is the InChIKey of 5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide?
The InChIKey is RPZMBSUTNJTBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClN2O4S/c12-10-7(14(17)18)5-9(19-10)11(16)13-6-3-1-2-4-8(6)15/h1-5,15H,(H,13,16).
What are the key properties of 5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide?
5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide has a molecular weight of 298.71 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-hydroxyphenyl)-4-nitrothiophene-2-carboxamide is sourced from PubChem (CID 84575839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).