5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide

C8H10F2N2O2S — CID 125454362

IUPAC5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)c(C)c(F)c1F
InChIInChI=1S/C8H10F2N2O2S/c1-4-5(11)3-6(8(10)7(4)9)15(13,14)12-2/h3,12H,11H2,1-2H3
InChIKeyROQJBZJIDUIKHG-UHFFFAOYSA-N
MW236.24 g/mol
LogP0.76
Rot. Bonds2

About 5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide

5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide (PubChem CID 125454362) has the molecular formula C8H10F2N2O2S and a molecular weight of 236.24 g/mol. Its IUPAC name is 5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide
PubChem CID125454362
Molecular FormulaC8H10F2N2O2S
Molecular Weight236.24 g/mol
Exact Mass236.04
IUPAC Name5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cc(N)c(C)c(F)c1F
InChIInChI=1S/C8H10F2N2O2S/c1-4-5(11)3-6(8(10)7(4)9)15(13,14)12-2/h3,12H,11H2,1-2H3
InChIKeyROQJBZJIDUIKHG-UHFFFAOYSA-N
XLogP0.76
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.24
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide?
The IUPAC name of 5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide (CID 125454362) is 5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cc(N)c(C)c(F)c1F.
What is the InChIKey of 5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide?
The InChIKey is ROQJBZJIDUIKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O2S/c1-4-5(11)3-6(8(10)7(4)9)15(13,14)12-2/h3,12H,11H2,1-2H3.
What are the key properties of 5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide?
5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide has a molecular weight of 236.24 g/mol, XLogP of 0.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-difluoro-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 125454362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).