2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

C10H13F3N2O2S — CID 60892306

IUPAC2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-7-4-3-5-8(14)9(7)18(16,17)15(2)6-10(11,12)13/h3-5H,6,14H2,1-2H3
InChIKeyCSYHYZZOUDYNED-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.76
Rot. Bonds3

About 2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60892306) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60892306
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-7-4-3-5-8(14)9(7)18(16,17)15(2)6-10(11,12)13/h3-5H,6,14H2,1-2H3
InChIKeyCSYHYZZOUDYNED-UHFFFAOYSA-N
XLogP1.76
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.29
LogP ≤ 51.76
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,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60892306) is 2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of 2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is CSYHYZZOUDYNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-7-4-3-5-8(14)9(7)18(16,17)15(2)6-10(11,12)13/h3-5H,6,14H2,1-2H3.
What are the key properties of 2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide has a molecular weight of 282.29 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N,6-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60892306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).