5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide

C15H10N2O5S — CID 122195484

IUPAC5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1=Cc2cc([N+](=O)[O-])ccc2S1(=O)=O
InChIInChI=1S/C15H10N2O5S/c18-15(16-11-4-2-1-3-5-11)14-9-10-8-12(17(19)20)6-7-13(10)23(14,21)22/h1-9H,(H,16,18)
InChIKeyHBLFTZUQQISWQD-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.36
Rot. Bonds3

About 5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide

5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide (PubChem CID 122195484) has the molecular formula C15H10N2O5S and a molecular weight of 330.32 g/mol. Its IUPAC name is 5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide
PubChem CID122195484
Molecular FormulaC15H10N2O5S
Molecular Weight330.32 g/mol
Exact Mass330.03
IUPAC Name5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide
SMILESO=C(Nc1ccccc1)C1=Cc2cc([N+](=O)[O-])ccc2S1(=O)=O
InChIInChI=1S/C15H10N2O5S/c18-15(16-11-4-2-1-3-5-11)14-9-10-8-12(17(19)20)6-7-13(10)23(14,21)22/h1-9H,(H,16,18)
InChIKeyHBLFTZUQQISWQD-UHFFFAOYSA-N
XLogP2.36
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(4-(4-Nitrobenzene-1-sulfonyl)phenyl)acetamide
CID 232557
N-(5,5-Dioxo-5H-5lambda*6*-dibenzothiophen-2-yl)-acetamide
CID 14918530
(E)-3-(2-nitrophenyl)-N-(4-sulfamoylphenyl)prop-2-enamide
CID 891140
(2E)-2-[(3-nitrophenyl)methylidene]-3-oxo-N-(4-sulfamoylphenyl)butanamide
CID 155554800
3-nitro-N-(4-sulfamoylphenyl)benzamide
CID 683957
N-[4-(acetylamino)phenyl]-2-[(4-nitrophenyl)sulfonyl]benzamide
CID 1310538
N-(5,5-Dioxo-5H-5lambda*6*-dibenzothiophen-2-yl)-propionamide
CID 9971294
5-benzamido-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide
CID 122195497
N-(4-nitrophenyl)-2-tosylacetamide
CID 7543830
2-[(2-nitrophenyl)sulfinyl]-N-[3-(trifluoromethyl)phenyl]acetamide
CID 1318167
4'-Acetamido-4-nitro-2-trifluoromethyldiphenyl sulfone
CID 541216
(2e)-2-[[(4-Fluorophenyl)amino]methylene]-7-nitro-4,5-dihydro-1,4-benzothiazepin-3(2h)-one 1,1-dioxide
CID 129840905

Frequently Asked Questions

What is the IUPAC name of 5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide?
The IUPAC name of 5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide (CID 122195484) is 5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide?
The canonical SMILES for 5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide is O=C(Nc1ccccc1)C1=Cc2cc([N+](=O)[O-])ccc2S1(=O)=O.
What is the InChIKey of 5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide?
The InChIKey is HBLFTZUQQISWQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O5S/c18-15(16-11-4-2-1-3-5-11)14-9-10-8-12(17(19)20)6-7-13(10)23(14,21)22/h1-9H,(H,16,18).
What are the key properties of 5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide?
5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide has a molecular weight of 330.32 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-1,1-dioxo-N-phenyl-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 122195484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).