N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide

C14H14F2N2O2S — CID 43167027

IUPACN-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
SMILESCc1ccc(N)c(C)c1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2O2S/c1-8-3-6-13(17)9(2)14(8)18-21(19,20)10-4-5-11(15)12(16)7-10/h3-7,18H,17H2,1-2H3
InChIKeyNJCYHNUJGXVVET-UHFFFAOYSA-N
MW312.34 g/mol
LogP2.96
Rot. Bonds3

About N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide

N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide (PubChem CID 43167027) has the molecular formula C14H14F2N2O2S and a molecular weight of 312.34 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
PubChem CID43167027
Molecular FormulaC14H14F2N2O2S
Molecular Weight312.34 g/mol
Exact Mass312.07
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
SMILESCc1ccc(N)c(C)c1NS(=O)(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C14H14F2N2O2S/c1-8-3-6-13(17)9(2)14(8)18-21(19,20)10-4-5-11(15)12(16)7-10/h3-7,18H,17H2,1-2H3
InChIKeyNJCYHNUJGXVVET-UHFFFAOYSA-N
XLogP2.96
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 52.96
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-(5-amino-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43167025
N-(2-amino-4,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 81305049
N-(2-amino-5-chlorophenyl)-3,4-difluorobenzenesulfonamide
CID 43343902
N-(4-bromo-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide
CID 61062760
N-(2-amino-4,6-dibromophenyl)-3,4-difluorobenzenesulfonamide
CID 43550660
N-(2,6-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 8500850
N-(3-amino-2,6-dimethylphenyl)methanesulfonamide
CID 24702132
4-amino-N-(2,6-difluorophenyl)-3-fluorobenzenesulfonamide
CID 82843706
N-(5-bromo-2-methylphenyl)-3,4-difluorobenzenesulfonamide
CID 43806698
3-amino-4-chloro-N-(2,6-difluoro-3-methylphenyl)benzenesulfonamide
CID 82799121
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
3-amino-4-fluoro-N-(3-fluoro-4-methylphenyl)benzenesulfonamide
CID 29298458

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide (CID 43167027) is N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide is Cc1ccc(N)c(C)c1NS(=O)(=O)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide?
The InChIKey is NJCYHNUJGXVVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N2O2S/c1-8-3-6-13(17)9(2)14(8)18-21(19,20)10-4-5-11(15)12(16)7-10/h3-7,18H,17H2,1-2H3.
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide?
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide has a molecular weight of 312.34 g/mol, XLogP of 2.96, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzenesulfonamide is sourced from PubChem (CID 43167027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).