N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide

C14H13FN2O4S — CID 22774503

IUPACN-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1
InChIInChI=1S/C14H13FN2O4S/c1-9-3-6-14(10(2)7-9)22(20,21)16-13-8-11(17(18)19)4-5-12(13)15/h3-8,16H,1-2H3
InChIKeyHIKQGNWBFYDDOI-UHFFFAOYSA-N
MW324.33 g/mol
LogP3.15
Rot. Bonds4

About N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide

N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide (PubChem CID 22774503) has the molecular formula C14H13FN2O4S and a molecular weight of 324.33 g/mol. Its IUPAC name is N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide
PubChem CID22774503
Molecular FormulaC14H13FN2O4S
Molecular Weight324.33 g/mol
Exact Mass324.06
IUPAC NameN-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1
InChIInChI=1S/C14H13FN2O4S/c1-9-3-6-14(10(2)7-9)22(20,21)16-13-8-11(17(18)19)4-5-12(13)15/h3-8,16H,1-2H3
InChIKeyHIKQGNWBFYDDOI-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

4-tert-butyl-N-(2-fluoro-5-nitrophenyl)benzenesulfonamide
CID 22774500
N-(2,5-dimethylphenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7573611
N-(2-fluorophenyl)-2-methyl-5-nitrobenzenesulfonamide
CID 7107842
2,4-dimethyl-N-(2,3,4-trifluorophenyl)benzenesulfonamide
CID 8500544
[4-fluoro-3-[(4-methylphenyl)sulfonylamino]phenyl]-methyl-oxoazanium
CID 159028628
N-[4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfonylamino]phenyl]acetamide
CID 55560089
4-fluoro-3-methyl-N-(2-methyl-5-nitrophenyl)benzenesulfonamide
CID 98674097
2-fluoro-N-(2-methyl-4-nitrophenyl)benzenesulfonamide
CID 60640802
4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106996652
N-(2-fluoro-5-nitrophenyl)-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 43396054
methyl 4-fluoro-3-[(2-methyl-5-nitrophenyl)sulfamoyl]benzoate
CID 47946297
N,2-dimethyl-4-nitrobenzenesulfonamide
CID 37477651

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide (CID 22774503) is N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc([N+](=O)[O-])ccc2F)c(C)c1.
What is the InChIKey of N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide?
The InChIKey is HIKQGNWBFYDDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O4S/c1-9-3-6-14(10(2)7-9)22(20,21)16-13-8-11(17(18)19)4-5-12(13)15/h3-8,16H,1-2H3.
What are the key properties of N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide?
N-(2-fluoro-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide 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-5-nitrophenyl)-2,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 22774503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).