2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide

C11H16F2N2O2S — CID 103171820

IUPAC2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(F)F)c1N
InChIInChI=1S/C11H16F2N2O2S/c1-7-4-5-8(2)11(10(7)14)18(16,17)15(3)6-9(12)13/h4-5,9H,6,14H2,1-3H3
InChIKeyFRFHRQBIFQEIRV-UHFFFAOYSA-N
MW278.32 g/mol
LogP1.77
Rot. Bonds4

About 2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide

2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide (PubChem CID 103171820) has the molecular formula C11H16F2N2O2S and a molecular weight of 278.32 g/mol. Its IUPAC name is 2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide
PubChem CID103171820
Molecular FormulaC11H16F2N2O2S
Molecular Weight278.32 g/mol
Exact Mass278.09
IUPAC Name2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)N(C)CC(F)F)c1N
InChIInChI=1S/C11H16F2N2O2S/c1-7-4-5-8(2)11(10(7)14)18(16,17)15(3)6-9(12)13/h4-5,9H,6,14H2,1-3H3
InChIKeyFRFHRQBIFQEIRV-UHFFFAOYSA-N
XLogP1.77
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.32
LogP ≤ 51.77
H-Bond Donors ≤ 51
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 2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide?
The IUPAC name of 2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide (CID 103171820) is 2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide.
What is the SMILES notation for 2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide?
The canonical SMILES for 2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)N(C)CC(F)F)c1N.
What is the InChIKey of 2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide?
The InChIKey is FRFHRQBIFQEIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O2S/c1-7-4-5-8(2)11(10(7)14)18(16,17)15(3)6-9(12)13/h4-5,9H,6,14H2,1-3H3.
What are the key properties of 2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide?
2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide has a molecular weight of 278.32 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2,2-difluoroethyl)-N,3,6-trimethylbenzenesulfonamide is sourced from PubChem (CID 103171820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).