N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide

C13H11F3N2O2S — CID 60971814

IUPACN-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c(N)c1
InChIInChI=1S/C13H11F3N2O2S/c1-7-2-3-12(11(17)4-7)18-21(19,20)13-9(15)5-8(14)6-10(13)16/h2-6,18H,17H2,1H3
InChIKeyUIMPDGLAYQCPSO-UHFFFAOYSA-N
MW316.30 g/mol
LogP2.80
Rot. Bonds3

About N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide

N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide (PubChem CID 60971814) has the molecular formula C13H11F3N2O2S and a molecular weight of 316.30 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide
PubChem CID60971814
Molecular FormulaC13H11F3N2O2S
Molecular Weight316.30 g/mol
Exact Mass316.05
IUPAC NameN-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c(N)c1
InChIInChI=1S/C13H11F3N2O2S/c1-7-2-3-12(11(17)4-7)18-21(19,20)13-9(15)5-8(14)6-10(13)16/h2-6,18H,17H2,1H3
InChIKeyUIMPDGLAYQCPSO-UHFFFAOYSA-N
XLogP2.80
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.30
LogP ≤ 52.80
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-(2-amino-4-methylphenyl)-4-fluorobenzenesulfonamide
CID 43259163
N-(2-amino-4-methylphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 43259158
2-amino-N-(2-fluoro-4-methylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171069
4-amino-2,6-difluoro-N-(5-fluoro-2-methylphenyl)benzenesulfonamide
CID 60984738
N-(2-chloro-4-methylphenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326661
6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258725
N-(4-chloro-2-hydroxyphenyl)-2,4,6-trifluorobenzenesulfonamide
CID 81422193
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
N-(2-amino-4-methylphenyl)-5-chlorothiophene-2-sulfonamide
CID 43259125
N-(2-amino-4,6-difluorophenyl)-2,5-dimethylbenzenesulfonamide
CID 81304571
4-methyl-1-N-(propan-2-ylsulfamoyl)benzene-1,2-diamine
CID 114804316
N-(2-amino-4-methylphenyl)-4-bromo-2-chlorobenzenesulfonamide
CID 43259134

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide (CID 60971814) is N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(F)cc(F)cc2F)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide?
The InChIKey is UIMPDGLAYQCPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11F3N2O2S/c1-7-2-3-12(11(17)4-7)18-21(19,20)13-9(15)5-8(14)6-10(13)16/h2-6,18H,17H2,1H3.
What are the key properties of N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide?
N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide has a molecular weight of 316.30 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4-methylphenyl)-2,4,6-trifluorobenzenesulfonamide is sourced from PubChem (CID 60971814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).