6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

C21H14N2O6S — CID 155234475

IUPAC6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1-c1ccccc1)c1cc2ccc([N+](=O)[O-])cc2o1
InChIInChI=1S/C21H14N2O6S/c24-21(19-12-15-10-11-16(23(25)26)13-18(15)29-19)22-30(27,28)20-9-5-4-8-17(20)14-6-2-1-3-7-14/h1-13H,(H,22,24)
InChIKeyBGKSIYPUHKTQNN-UHFFFAOYSA-N
MW422.42 g/mol
LogP4.13
Rot. Bonds5

About 6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide

6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (PubChem CID 155234475) has the molecular formula C21H14N2O6S and a molecular weight of 422.42 g/mol. Its IUPAC name is 6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
PubChem CID155234475
Molecular FormulaC21H14N2O6S
Molecular Weight422.42 g/mol
Exact Mass422.06
IUPAC Name6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
SMILESO=C(NS(=O)(=O)c1ccccc1-c1ccccc1)c1cc2ccc([N+](=O)[O-])cc2o1
InChIInChI=1S/C21H14N2O6S/c24-21(19-12-15-10-11-16(23(25)26)13-18(15)29-19)22-30(27,28)20-9-5-4-8-17(20)14-6-2-1-3-7-14/h1-13H,(H,22,24)
InChIKeyBGKSIYPUHKTQNN-UHFFFAOYSA-N
XLogP4.13
TPSA119.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.42
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

6-[ethyl(methyl)amino]-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155233897
6-bromo-4-methyl-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155234394
2-bromo-1-(6-nitro-1-benzofuran-2-yl)ethanone
CID 150565982
(2-phenylphenyl)sulfonylcarbamic acid
CID 23312596
N-(2-chlorophenyl)sulfonyl-6-propan-2-yl-1-benzofuran-2-carboxamide
CID 166596519
4-nitro-2-(5-nitro-2-phenylphenyl)sulfonyl-1-phenylbenzene
CID 141390803
5-nitro-1-benzofuran-2-carbohydrazide
CID 30772172
6-(dimethylamino)-N-(2-methoxyphenyl)sulfonyl-1-benzofuran-2-carboxamide
CID 155244905
4-(7-nitro-2-oxochromen-3-yl)benzoic acid
CID 170776286
5-nitro-2-phenylbenzenesulfonyl chloride
CID 87546258
2-methyl-5-nitro-N-(2-phenylphenyl)benzenesulfonamide
CID 2961153
N-(2-phenylphenyl)-1-benzofuran-2-carboxamide
CID 2473887

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The IUPAC name of 6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide (CID 155234475) is 6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide.
What is the SMILES notation for 6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The canonical SMILES for 6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is O=C(NS(=O)(=O)c1ccccc1-c1ccccc1)c1cc2ccc([N+](=O)[O-])cc2o1.
What is the InChIKey of 6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
The InChIKey is BGKSIYPUHKTQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N2O6S/c24-21(19-12-15-10-11-16(23(25)26)13-18(15)29-19)22-30(27,28)20-9-5-4-8-17(20)14-6-2-1-3-7-14/h1-13H,(H,22,24).
What are the key properties of 6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide?
6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide has a molecular weight of 422.42 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(2-phenylphenyl)sulfonyl-1-benzofuran-2-carboxamide is sourced from PubChem (CID 155234475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).