N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide

C12H8ClFN2O4S — CID 82813222

IUPACN-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1F
InChIInChI=1S/C12H8ClFN2O4S/c13-8-2-1-3-9(6-8)15-21(19,20)10-4-5-12(16(17)18)11(14)7-10/h1-7,15H
InChIKeyJUKOAVLHOBVJIH-UHFFFAOYSA-N
MW330.72 g/mol
LogP3.19
Rot. Bonds4

About N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide

N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide (PubChem CID 82813222) has the molecular formula C12H8ClFN2O4S and a molecular weight of 330.72 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
PubChem CID82813222
Molecular FormulaC12H8ClFN2O4S
Molecular Weight330.72 g/mol
Exact Mass329.99
IUPAC NameN-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1F
InChIInChI=1S/C12H8ClFN2O4S/c13-8-2-1-3-9(6-8)15-21(19,20)10-4-5-12(16(17)18)11(14)7-10/h1-7,15H
InChIKeyJUKOAVLHOBVJIH-UHFFFAOYSA-N
XLogP3.19
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.72
LogP ≤ 53.19
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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Related Compounds

3-fluoro-N-(3-fluorophenyl)-4-nitrobenzenesulfonamide
CID 82813223
5-bromo-N-(3-chlorophenyl)-2-nitrobenzenesulfonamide
CID 61016331
N-(3-chlorophenyl)-4-nitrobenzenesulfonamide
CID 2302993
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-nitrobenzenesulfonamide
CID 4647141
N-(3-chlorophenyl)-3-[(3,4-difluorophenyl)sulfonylamino]-4-hydroxybenzenesulfonamide
CID 26970738
4-(2-benzylidenehydrazinyl)-N-(3-chlorophenyl)-3-nitrobenzenesulfonamide
CID 5237290
N-[4-[(3-chlorophenyl)sulfamoyl]phenyl]-3-fluorobenzenesulfonamide
CID 26967322
3-fluoro-N-(6-fluoro-3-pyridinyl)-4-nitrobenzenesulfonamide
CID 103871850
4-chloro-N-(4-chlorophenyl)-3-nitrobenzenesulfonamide
CID 2888137
3-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzoic acid
CID 45407612
4-chloro-N-(3-methylsulfonylphenyl)-3-nitrobenzenesulfonamide
CID 8842745

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide?
The IUPAC name of N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide (CID 82813222) is N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(S(=O)(=O)Nc2cccc(Cl)c2)cc1F.
What is the InChIKey of N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide?
The InChIKey is JUKOAVLHOBVJIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFN2O4S/c13-8-2-1-3-9(6-8)15-21(19,20)10-4-5-12(16(17)18)11(14)7-10/h1-7,15H.
What are the key properties of N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide?
N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide has a molecular weight of 330.72 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3-fluoro-4-nitrobenzenesulfonamide is sourced from PubChem (CID 82813222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).