N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide

C13H11FN2O4S — CID 7514342

IUPACN-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11FN2O4S/c1-9-2-3-10(14)8-13(9)15-21(19,20)12-6-4-11(5-7-12)16(17)18/h2-8,15H,1H3
InChIKeyZIQLPUKEKLUFKR-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.84
Rot. Bonds4

About N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide

N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide (PubChem CID 7514342) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
PubChem CID7514342
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC NameN-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
SMILESCc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C13H11FN2O4S/c1-9-2-3-10(14)8-13(9)15-21(19,20)12-6-4-11(5-7-12)16(17)18/h2-8,15H,1H3
InChIKeyZIQLPUKEKLUFKR-UHFFFAOYSA-N
XLogP2.84
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.84
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

4-fluoro-3-methyl-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 98674097
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
N-(2-methyl-5-nitrophenyl)-4-propan-2-ylbenzenesulfonamide
CID 7938611
4-(ethylamino)-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 62145399
3,4-dichloro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501117
4-[(2S)-butan-2-yl]-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 8501128
N-(2-chloro-4-nitrophenyl)-4-fluorobenzenesulfonamide
CID 60631764
4-nitro-N-(2,3,5,6-tetramethylphenyl)benzenesulfonamide
CID 101434435
5-fluoro-N-(5-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 47309539
3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 22774279
N-(2,4-dimethylphenyl)-4-[(4-nitrophenyl)sulfonylamino]benzenesulfonamide
CID 2711951
4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 2840601

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide?
The IUPAC name of N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide (CID 7514342) is N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide is Cc1ccc(F)cc1NS(=O)(=O)c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide?
The InChIKey is ZIQLPUKEKLUFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-9-2-3-10(14)8-13(9)15-21(19,20)12-6-4-11(5-7-12)16(17)18/h2-8,15H,1H3.
What are the key properties of N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide?
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide has a molecular weight of 310.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide is sourced from PubChem (CID 7514342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).