4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide

C19H15N3O7S — CID 24807046

IUPAC4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OCc2ccccc2)cc1
InChIInChI=1S/C19H15N3O7S/c23-21(24)15-6-9-17(10-7-15)30(27,28)20-18-11-8-16(22(25)26)12-19(18)29-13-14-4-2-1-3-5-14/h1-12,20H,13H2
InChIKeyOYLIDVYWZUSOSJ-UHFFFAOYSA-N
MW429.41 g/mol
LogP3.88
Rot. Bonds8

About 4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide

4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide (PubChem CID 24807046) has the molecular formula C19H15N3O7S and a molecular weight of 429.41 g/mol. Its IUPAC name is 4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide
PubChem CID24807046
Molecular FormulaC19H15N3O7S
Molecular Weight429.41 g/mol
Exact Mass429.06
IUPAC Name4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OCc2ccccc2)cc1
InChIInChI=1S/C19H15N3O7S/c23-21(24)15-6-9-17(10-7-15)30(27,28)20-18-11-8-16(22(25)26)12-19(18)29-13-14-4-2-1-3-5-14/h1-12,20H,13H2
InChIKeyOYLIDVYWZUSOSJ-UHFFFAOYSA-N
XLogP3.88
TPSA141.68 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.41
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide?
The IUPAC name of 4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide (CID 24807046) is 4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide.
What is the SMILES notation for 4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide?
The canonical SMILES for 4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2ccc([N+](=O)[O-])cc2OCc2ccccc2)cc1.
What is the InChIKey of 4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide?
The InChIKey is OYLIDVYWZUSOSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O7S/c23-21(24)15-6-9-17(10-7-15)30(27,28)20-18-11-8-16(22(25)26)12-19(18)29-13-14-4-2-1-3-5-14/h1-12,20H,13H2.
What are the key properties of 4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide?
4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide has a molecular weight of 429.41 g/mol, XLogP of 3.88, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(4-nitro-2-phenylmethoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 24807046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).