2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide

C11H14F4N2O2S — CID 106289483

IUPAC2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(F)(F)C(F)F)c1N
InChIInChI=1S/C11H14F4N2O2S/c1-6-3-4-7(2)9(8(6)16)20(18,19)17-5-11(14,15)10(12)13/h3-4,10,17H,5,16H2,1-2H3
InChIKeyJIMYRAGIKAQPHF-UHFFFAOYSA-N
MW314.30 g/mol
LogP2.06
Rot. Bonds5

About 2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide

2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide (PubChem CID 106289483) has the molecular formula C11H14F4N2O2S and a molecular weight of 314.30 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
PubChem CID106289483
Molecular FormulaC11H14F4N2O2S
Molecular Weight314.30 g/mol
Exact Mass314.07
IUPAC Name2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(F)(F)C(F)F)c1N
InChIInChI=1S/C11H14F4N2O2S/c1-6-3-4-7(2)9(8(6)16)20(18,19)17-5-11(14,15)10(12)13/h3-4,10,17H,5,16H2,1-2H3
InChIKeyJIMYRAGIKAQPHF-UHFFFAOYSA-N
XLogP2.06
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.30
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide (CID 106289483) is 2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)NCC(F)(F)C(F)F)c1N.
What is the InChIKey of 2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
The InChIKey is JIMYRAGIKAQPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F4N2O2S/c1-6-3-4-7(2)9(8(6)16)20(18,19)17-5-11(14,15)10(12)13/h3-4,10,17H,5,16H2,1-2H3.
What are the key properties of 2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide?
2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide has a molecular weight of 314.30 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-N-(2,2,3,3-tetrafluoropropyl)benzenesulfonamide is sourced from PubChem (CID 106289483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).