4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide

C19H14N2O5S — CID 122194783

IUPAC4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C19H14N2O5S/c20-27(25,26)18-11-7-14(8-12-18)13-1-3-15(4-2-13)19(22)16-5-9-17(10-6-16)21(23)24/h1-12H,(H2,20,25,26)
InChIKeyCKFJOVKBQUDQTH-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.14
Rot. Bonds5

About 4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide

4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide (PubChem CID 122194783) has the molecular formula C19H14N2O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is 4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide
PubChem CID122194783
Molecular FormulaC19H14N2O5S
Molecular Weight382.40 g/mol
Exact Mass382.06
IUPAC Name4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1
InChIInChI=1S/C19H14N2O5S/c20-27(25,26)18-11-7-14(8-12-18)13-1-3-15(4-2-13)19(22)16-5-9-17(10-6-16)21(23)24/h1-12H,(H2,20,25,26)
InChIKeyCKFJOVKBQUDQTH-UHFFFAOYSA-N
XLogP3.14
TPSA120.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.14
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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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide?
The IUPAC name of 4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide (CID 122194783) is 4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ccc(C(=O)c3ccc([N+](=O)[O-])cc3)cc2)cc1.
What is the InChIKey of 4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide?
The InChIKey is CKFJOVKBQUDQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5S/c20-27(25,26)18-11-7-14(8-12-18)13-1-3-15(4-2-13)19(22)16-5-9-17(10-6-16)21(23)24/h1-12H,(H2,20,25,26).
What are the key properties of 4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide?
4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide has a molecular weight of 382.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-nitrobenzoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 122194783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).