2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide

C10H14F3N3O2S — CID 80646293

IUPAC2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)CC(F)(F)F)cc1N
InChIInChI=1S/C10H14F3N3O2S/c1-15-19(17,18)9-4-3-7(5-8(9)14)16(2)6-10(11,12)13/h3-5,15H,6,14H2,1-2H3
InChIKeyDTVCPALKXFHTJF-UHFFFAOYSA-N
MW297.30 g/mol
LogP1.18
Rot. Bonds4

About 2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide

2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide (PubChem CID 80646293) has the molecular formula C10H14F3N3O2S and a molecular weight of 297.30 g/mol. Its IUPAC name is 2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
PubChem CID80646293
Molecular FormulaC10H14F3N3O2S
Molecular Weight297.30 g/mol
Exact Mass297.08
IUPAC Name2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(N(C)CC(F)(F)F)cc1N
InChIInChI=1S/C10H14F3N3O2S/c1-15-19(17,18)9-4-3-7(5-8(9)14)16(2)6-10(11,12)13/h3-5,15H,6,14H2,1-2H3
InChIKeyDTVCPALKXFHTJF-UHFFFAOYSA-N
XLogP1.18
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The IUPAC name of 2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide (CID 80646293) is 2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide.
What is the SMILES notation for 2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The canonical SMILES for 2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide is CNS(=O)(=O)c1ccc(N(C)CC(F)(F)F)cc1N.
What is the InChIKey of 2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
The InChIKey is DTVCPALKXFHTJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2S/c1-15-19(17,18)9-4-3-7(5-8(9)14)16(2)6-10(11,12)13/h3-5,15H,6,14H2,1-2H3.
What are the key properties of 2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide?
2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide has a molecular weight of 297.30 g/mol, XLogP of 1.18, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-4-[methyl(2,2,2-trifluoroethyl)amino]benzenesulfonamide is sourced from PubChem (CID 80646293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).