N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide

C19H13FN2O3S — CID 1295824

IUPACN-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H13FN2O3S/c20-13-5-7-14(8-6-13)21-19(23)17-3-1-2-4-18(17)26-16-11-9-15(10-12-16)22(24)25/h1-12H,(H,21,23)
InChIKeyMNKNRJFTXIUMRW-UHFFFAOYSA-N
MW368.39 g/mol
LogP5.14
Rot. Bonds5

About N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide

N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide (PubChem CID 1295824) has the molecular formula C19H13FN2O3S and a molecular weight of 368.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide
PubChem CID1295824
Molecular FormulaC19H13FN2O3S
Molecular Weight368.39 g/mol
Exact Mass368.06
IUPAC NameN-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C19H13FN2O3S/c20-13-5-7-14(8-6-13)21-19(23)17-3-1-2-4-18(17)26-16-11-9-15(10-12-16)22(24)25/h1-12H,(H,21,23)
InChIKeyMNKNRJFTXIUMRW-UHFFFAOYSA-N
XLogP5.14
TPSA72.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.39
LogP ≤ 55.14
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 N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
The IUPAC name of N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide (CID 1295824) is N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide is O=C(Nc1ccc(F)cc1)c1ccccc1Sc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
The InChIKey is MNKNRJFTXIUMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O3S/c20-13-5-7-14(8-6-13)21-19(23)17-3-1-2-4-18(17)26-16-11-9-15(10-12-16)22(24)25/h1-12H,(H,21,23).
What are the key properties of N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide?
N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide has a molecular weight of 368.39 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(4-nitrophenyl)sulfanylbenzamide is sourced from PubChem (CID 1295824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).