2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide

C19H14N2O3S — CID 1324557

IUPAC2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N2O3S/c22-19(20-14-6-2-1-3-7-14)17-8-4-5-9-18(17)25-16-12-10-15(11-13-16)21(23)24/h1-13H,(H,20,22)
InChIKeyNUAHUUPGISQOBM-UHFFFAOYSA-N
MW350.40 g/mol
LogP5.00
Rot. Bonds5

About 2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide

2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide (PubChem CID 1324557) has the molecular formula C19H14N2O3S and a molecular weight of 350.40 g/mol. Its IUPAC name is 2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide.

Molecular Properties

Compound Name2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide
PubChem CID1324557
Molecular FormulaC19H14N2O3S
Molecular Weight350.40 g/mol
Exact Mass350.07
IUPAC Name2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide
SMILESO=C(Nc1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H14N2O3S/c22-19(20-14-6-2-1-3-7-14)17-8-4-5-9-18(17)25-16-12-10-15(11-13-16)21(23)24/h1-13H,(H,20,22)
InChIKeyNUAHUUPGISQOBM-UHFFFAOYSA-N
XLogP5.00
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide?
The IUPAC name of 2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide (CID 1324557) is 2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide.
What is the SMILES notation for 2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide?
The canonical SMILES for 2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide is O=C(Nc1ccccc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide?
The InChIKey is NUAHUUPGISQOBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O3S/c22-19(20-14-6-2-1-3-7-14)17-8-4-5-9-18(17)25-16-12-10-15(11-13-16)21(23)24/h1-13H,(H,20,22).
What are the key properties of 2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide?
2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide has a molecular weight of 350.40 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)sulfanyl-N-phenylbenzamide is sourced from PubChem (CID 1324557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).