2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide

C13H11FN2O4S — CID 60640802

IUPAC2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
SMILESCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H11FN2O4S/c1-9-8-10(16(17)18)6-7-12(9)15-21(19,20)13-5-3-2-4-11(13)14/h2-8,15H,1H3
InChIKeyQWUOOTJYDBRRGA-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.84
Rot. Bonds4

About 2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide

2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide (PubChem CID 60640802) has the molecular formula C13H11FN2O4S and a molecular weight of 310.31 g/mol. Its IUPAC name is 2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
PubChem CID60640802
Molecular FormulaC13H11FN2O4S
Molecular Weight310.31 g/mol
Exact Mass310.04
IUPAC Name2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
SMILESCc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H11FN2O4S/c1-9-8-10(16(17)18)6-7-12(9)15-21(19,20)13-5-3-2-4-11(13)14/h2-8,15H,1H3
InChIKeyQWUOOTJYDBRRGA-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

N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
2-[(2-fluorophenyl)sulfonylamino]-5-nitrobenzoic acid
CID 16773625
N-(4-bromo-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 7938529
3,4-dimethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 22774279
2-amino-N-(2-fluoro-4-nitrophenyl)benzenesulfonamide
CID 62153847
N-(4-chloro-2-methylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 21368314
2-amino-N-(2-methylphenyl)-4-nitrobenzenesulfonamide
CID 62143538
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902
N-(2-fluorophenyl)-2-methoxy-4-nitrobenzenesulfonamide
CID 47062690
N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide
CID 22774503
4-ethyl-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 2840601
N-(2-methylphenyl)-2-nitrobenzenesulfonamide
CID 786523

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The IUPAC name of 2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide (CID 60640802) is 2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The canonical SMILES for 2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide is Cc1cc([N+](=O)[O-])ccc1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
The InChIKey is QWUOOTJYDBRRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11FN2O4S/c1-9-8-10(16(17)18)6-7-12(9)15-21(19,20)13-5-3-2-4-11(13)14/h2-8,15H,1H3.
What are the key properties of 2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide?
2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide 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 2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide is sourced from PubChem (CID 60640802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).