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

C19H13FN2O5S — CID 1310552

IUPACN-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H13FN2O5S/c20-13-9-11-14(12-10-13)21-19(23)15-5-1-3-7-17(15)28(26,27)18-8-4-2-6-16(18)22(24)25/h1-12H,(H,21,23)
InChIKeyAZTWWKXBXWDVRB-UHFFFAOYSA-N
MW400.39 g/mol
LogP3.82
Rot. Bonds5

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

N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide (PubChem CID 1310552) has the molecular formula C19H13FN2O5S and a molecular weight of 400.39 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide
PubChem CID1310552
Molecular FormulaC19H13FN2O5S
Molecular Weight400.39 g/mol
Exact Mass400.05
IUPAC NameN-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide
SMILESO=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-]
InChIInChI=1S/C19H13FN2O5S/c20-13-9-11-14(12-10-13)21-19(23)15-5-1-3-7-17(15)28(26,27)18-8-4-2-6-16(18)22(24)25/h1-12H,(H,21,23)
InChIKeyAZTWWKXBXWDVRB-UHFFFAOYSA-N
XLogP3.82
TPSA106.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.39
LogP ≤ 53.82
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 N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The IUPAC name of N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide (CID 1310552) is N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The canonical SMILES for N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide is O=C(Nc1ccc(F)cc1)c1ccccc1S(=O)(=O)c1ccccc1[N+](=O)[O-].
What is the InChIKey of N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
The InChIKey is AZTWWKXBXWDVRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13FN2O5S/c20-13-9-11-14(12-10-13)21-19(23)15-5-1-3-7-17(15)28(26,27)18-8-4-2-6-16(18)22(24)25/h1-12H,(H,21,23).
What are the key properties of N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide?
N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide has a molecular weight of 400.39 g/mol, XLogP of 3.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-(2-nitrophenyl)sulfonylbenzamide is sourced from PubChem (CID 1310552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).