N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide

C13H13FN2O2S — CID 43330093

IUPACN-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cccc(N)c1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H13FN2O2S/c1-9-5-4-7-11(15)13(9)16-19(17,18)12-8-3-2-6-10(12)14/h2-8,16H,15H2,1H3
InChIKeyUSELZXNMAKFHRK-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.52
Rot. Bonds3

About N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide

N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide (PubChem CID 43330093) has the molecular formula C13H13FN2O2S and a molecular weight of 280.32 g/mol. Its IUPAC name is N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
PubChem CID43330093
Molecular FormulaC13H13FN2O2S
Molecular Weight280.32 g/mol
Exact Mass280.07
IUPAC NameN-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide
SMILESCc1cccc(N)c1NS(=O)(=O)c1ccccc1F
InChIInChI=1S/C13H13FN2O2S/c1-9-5-4-7-11(15)13(9)16-19(17,18)12-8-3-2-6-10(12)14/h2-8,16H,15H2,1H3
InChIKeyUSELZXNMAKFHRK-UHFFFAOYSA-N
XLogP2.52
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-3-methylphenyl)-2-fluorobenzenesulfonamide
CID 43604765
N-(5-amino-2-bromo-4-methylphenyl)-2-fluorobenzenesulfonamide
CID 104814667
N-(5-amino-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 16773575
2-amino-N-(2,6-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 30049967
2-cyano-N-(2-fluoro-6-methylphenyl)benzenesulfonamide
CID 104705303
N-(2-amino-6-methylphenyl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 43343954
1-amino-2-(diethylsulfamoylamino)-3-methylbenzene
CID 43152352
2-amino-N-(2,3-dimethylphenyl)-3-fluorobenzenesulfonamide
CID 62057436
2-fluoro-N-(2,4,6-triiodophenyl)benzenesulfonamide
CID 63495225
3-methyl-2-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804309
N-(2-amino-6-methylphenyl)-3,3-dimethylbutane-1-sulfonamide
CID 103520816
N-(5-bromo-4-fluoro-2-methylphenyl)-2-fluorobenzenesulfonamide
CID 103223902

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide (CID 43330093) is N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide is Cc1cccc(N)c1NS(=O)(=O)c1ccccc1F.
What is the InChIKey of N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide?
The InChIKey is USELZXNMAKFHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O2S/c1-9-5-4-7-11(15)13(9)16-19(17,18)12-8-3-2-6-10(12)14/h2-8,16H,15H2,1H3.
What are the key properties of N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide?
N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide has a molecular weight of 280.32 g/mol, XLogP of 2.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-6-methylphenyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 43330093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).