N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide

C14H13FN2O4S — CID 169371685

IUPACN-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc([N+](=O)[O-])cc2F)cc1
InChIInChI=1S/C14H13FN2O4S/c1-9-3-5-12(6-4-9)22(20,21)16-14-10(2)7-11(17(18)19)8-13(14)15/h3-8,16H,1-2H3
InChIKeyVYQURCJONKFJRV-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.15
Rot. Bonds4

About N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide

N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide (PubChem CID 169371685) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
PubChem CID169371685
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC NameN-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)cc([N+](=O)[O-])cc2F)cc1
InChIInChI=1S/C14H13FN2O4S/c1-9-3-5-12(6-4-9)22(20,21)16-14-10(2)7-11(17(18)19)8-13(14)15/h3-8,16H,1-2H3
InChIKeyVYQURCJONKFJRV-UHFFFAOYSA-N
XLogP3.15
TPSA89.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.33
LogP ≤ 53.15
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-(3,5-dinitrophenyl)-4-methylbenzenesulfonamide
CID 169370127
N-(2-bromo-3-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide
CID 169371227
4-nitro-N-(2,3,4,6-tetramethylphenyl)benzenesulfonamide
CID 101434437
4-nitro-N-(2,3,5,6-tetramethylphenyl)benzenesulfonamide
CID 101434435
N-(4-bromo-2-fluoro-6-hydroxyphenyl)-4-methylbenzenesulfonamide
CID 169370617
N-(2,6-dimethyl-4-nitrophenyl)methanesulfonamide
CID 2972028
[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]-methyl-oxoazanium
CID 159028628
N-(5-fluoro-2-methylphenyl)-4-nitrobenzenesulfonamide
CID 7514342
4-methyl-N-[3-(4-methylphenoxy)-5-nitrophenyl]benzenesulfonamide
CID 169371299
4-nitro-N-(2,3,4,5,6-pentamethylphenyl)benzenesulfonamide
CID 101434436
3-nitro-N-[4-[(2,4,6-trimethylphenyl)sulfamoyl]phenyl]benzenesulfonamide
CID 22202762
N-(5-fluoro-4-methoxy-2-nitrophenyl)-4-methylbenzenesulfonamide
CID 169373058

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide (CID 169371685) is N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)cc([N+](=O)[O-])cc2F)cc1.
What is the InChIKey of N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide?
The InChIKey is VYQURCJONKFJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c1-9-3-5-12(6-4-9)22(20,21)16-14-10(2)7-11(17(18)19)8-13(14)15/h3-8,16H,1-2H3.
What are the key properties of N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide?
N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide has a molecular weight of 324.33 g/mol, XLogP of 3.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-6-methyl-4-nitrophenyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 169371685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).