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

C10H13F3N2O2S — CID 60892303

IUPAC5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-7-3-4-8(14)5-9(7)18(16,17)15(2)6-10(11,12)13/h3-5H,6,14H2,1-2H3
InChIKeyHHPKWBVXDSDTDF-UHFFFAOYSA-N
MW282.29 g/mol
LogP1.76
Rot. Bonds3

About 5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide

5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (PubChem CID 60892303) has the molecular formula C10H13F3N2O2S and a molecular weight of 282.29 g/mol. Its IUPAC name is 5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
PubChem CID60892303
Molecular FormulaC10H13F3N2O2S
Molecular Weight282.29 g/mol
Exact Mass282.06
IUPAC Name5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
SMILESCc1ccc(N)cc1S(=O)(=O)N(C)CC(F)(F)F
InChIInChI=1S/C10H13F3N2O2S/c1-7-3-4-8(14)5-9(7)18(16,17)15(2)6-10(11,12)13/h3-5H,6,14H2,1-2H3
InChIKeyHHPKWBVXDSDTDF-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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Related Compounds

5-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60892304
4-amino-2-chloro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60891916
5-amino-N,2-dimethyl-N-(2-methylpropyl)benzenesulfonamide
CID 43271671
5-amino-3-fluoro-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 79896031
5-amino-N-[(4-bromophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61106294
5-amino-N,N-diethyl-2-methylbenzenesulfonamide
CID 3643281
5-amino-N-methyl-N-(2,2,2-trifluoroethyl)-1H-indole-3-sulfonamide
CID 64853040
5-amino-N-[(2-chlorophenyl)methyl]-N,2-dimethylbenzenesulfonamide
CID 61105357
5-amino-N,2-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 62001461
2-amino-3-fluoro-N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 62058300
5-amino-N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylbenzenesulfonamide
CID 29041934
5-amino-N,2-dimethyl-N-(1-methylsulfanylbutan-2-yl)benzenesulfonamide
CID 112656623

Frequently Asked Questions

What is the IUPAC name of 5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The IUPAC name of 5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide (CID 60892303) is 5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is Cc1ccc(N)cc1S(=O)(=O)N(C)CC(F)(F)F.
What is the InChIKey of 5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
The InChIKey is HHPKWBVXDSDTDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S/c1-7-3-4-8(14)5-9(7)18(16,17)15(2)6-10(11,12)13/h3-5H,6,14H2,1-2H3.
What are the key properties of 5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide?
5-amino-N,2-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 5-amino-N,2-dimethyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide is sourced from PubChem (CID 60892303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).