N-(4-fluoro-3-nitrophenyl)benzenesulfonamide

C12H9FN2O4S — CID 4599069

IUPACN-(4-fluoro-3-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C12H9FN2O4S/c13-11-7-6-9(8-12(11)15(16)17)14-20(18,19)10-4-2-1-3-5-10/h1-8,14H
InChIKeyBPDMMEPJVDJZFB-UHFFFAOYSA-N
MW296.28 g/mol
LogP2.53
Rot. Bonds4

About N-(4-fluoro-3-nitrophenyl)benzenesulfonamide

N-(4-fluoro-3-nitrophenyl)benzenesulfonamide (PubChem CID 4599069) has the molecular formula C12H9FN2O4S and a molecular weight of 296.28 g/mol. Its IUPAC name is N-(4-fluoro-3-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-nitrophenyl)benzenesulfonamide
PubChem CID4599069
Molecular FormulaC12H9FN2O4S
Molecular Weight296.28 g/mol
Exact Mass296.03
IUPAC NameN-(4-fluoro-3-nitrophenyl)benzenesulfonamide
SMILESO=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1F
InChIInChI=1S/C12H9FN2O4S/c13-11-7-6-9(8-12(11)15(16)17)14-20(18,19)10-4-2-1-3-5-10/h1-8,14H
InChIKeyBPDMMEPJVDJZFB-UHFFFAOYSA-N
XLogP2.53
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 52.53
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

N-(4-fluoro-3-nitrophenyl)benzenesulfonamide;N-(4-fluoro-3-nitrophenyl)-N-methylbenzenesulfonamide
CID 159690718
N-(4-fluoro-3-nitrophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 7939121
3-[4-[(4-fluoro-3-nitrophenyl)sulfamoyl]phenyl]propanoic acid
CID 7516484
N-(4-fluoro-3-nitrophenyl)thiophene-2-sulfonamide
CID 8501150
3-[(4-fluoro-3-nitrophenyl)sulfonylamino]benzoic acid
CID 45407612
N-[4-[(4-fluoro-3-nitrophenyl)sulfonylamino]phenyl]acetamide
CID 100820756
N-[2-(benzenesulfonamido)-4,5-dinitrophenyl]benzenesulfonamide
CID 142740286
3-chloro-N-(4-chloro-3-nitrophenyl)benzenesulfonamide
CID 8523374
(3S)-1-[4-[(4-fluoro-3-nitrophenyl)sulfamoyl]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 39324428
N-(3-bromo-4-fluorophenyl)-2-nitrobenzenesulfonamide
CID 115663224
N-(3,4-difluorophenyl)-4-methyl-3-nitrobenzenesulfonamide
CID 4876032
N-(3-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 82865494

Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-nitrophenyl)benzenesulfonamide?
The IUPAC name of N-(4-fluoro-3-nitrophenyl)benzenesulfonamide (CID 4599069) is N-(4-fluoro-3-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for N-(4-fluoro-3-nitrophenyl)benzenesulfonamide?
The canonical SMILES for N-(4-fluoro-3-nitrophenyl)benzenesulfonamide is O=[N+]([O-])c1cc(NS(=O)(=O)c2ccccc2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-nitrophenyl)benzenesulfonamide?
The InChIKey is BPDMMEPJVDJZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O4S/c13-11-7-6-9(8-12(11)15(16)17)14-20(18,19)10-4-2-1-3-5-10/h1-8,14H.
What are the key properties of N-(4-fluoro-3-nitrophenyl)benzenesulfonamide?
N-(4-fluoro-3-nitrophenyl)benzenesulfonamide has a molecular weight of 296.28 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 4599069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).