2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide

C10H13F3N2O2S2 — CID 106425722

IUPAC2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C10H13F3N2O2S2/c1-7-3-2-4-8(14)9(7)19(16,17)15-5-6-18-10(11,12)13/h2-4,15H,5-6,14H2,1H3
InChIKeyIZNRNUMWBDUXKY-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.11
Rot. Bonds5

About 2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide

2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide (PubChem CID 106425722) has the molecular formula C10H13F3N2O2S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
PubChem CID106425722
Molecular FormulaC10H13F3N2O2S2
Molecular Weight314.35 g/mol
Exact Mass314.04
IUPAC Name2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
SMILESCc1cccc(N)c1S(=O)(=O)NCCSC(F)(F)F
InChIInChI=1S/C10H13F3N2O2S2/c1-7-3-2-4-8(14)9(7)19(16,17)15-5-6-18-10(11,12)13/h2-4,15H,5-6,14H2,1H3
InChIKeyIZNRNUMWBDUXKY-UHFFFAOYSA-N
XLogP2.11
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide (CID 106425722) is 2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide is Cc1cccc(N)c1S(=O)(=O)NCCSC(F)(F)F.
What is the InChIKey of 2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The InChIKey is IZNRNUMWBDUXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S2/c1-7-3-2-4-8(14)9(7)19(16,17)15-5-6-18-10(11,12)13/h2-4,15H,5-6,14H2,1H3.
What are the key properties of 2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide has a molecular weight of 314.35 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106425722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).