4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide

C10H13F3N2O2S2 — CID 106430253

IUPAC4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCSC(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O2S2/c1-14-8-2-4-9(5-3-8)19(16,17)15-6-7-18-10(11,12)13/h2-5,14-15H,6-7H2,1H3
InChIKeyUXFSBSSSOQYCDL-UHFFFAOYSA-N
MW314.35 g/mol
LogP2.26
Rot. Bonds6

About 4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide

4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide (PubChem CID 106430253) has the molecular formula C10H13F3N2O2S2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
PubChem CID106430253
Molecular FormulaC10H13F3N2O2S2
Molecular Weight314.35 g/mol
Exact Mass314.04
IUPAC Name4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
SMILESCNc1ccc(S(=O)(=O)NCCSC(F)(F)F)cc1
InChIInChI=1S/C10H13F3N2O2S2/c1-14-8-2-4-9(5-3-8)19(16,17)15-6-7-18-10(11,12)13/h2-5,14-15H,6-7H2,1H3
InChIKeyUXFSBSSSOQYCDL-UHFFFAOYSA-N
XLogP2.26
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 75406437
4-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106430233
6-amino-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 114187255
3-bromo-4-chloro-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106432524
6-(propylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]pyridine-3-sulfonamide
CID 106432842
N-[2-(diethylamino)ethyl]-4-(methylamino)benzenesulfonamide
CID 43332072
3-(aminomethyl)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106433696
3-propanoyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 103823487
N-(2-tert-butylsulfanylethyl)-4-methylsulfanylbenzenesulfonamide
CID 2231398
N-[2-(methylamino)ethyl]-4-(trifluoromethylsulfanyl)benzenesulfonamide
CID 119973372
4-fluoro-2,6-dimethyl-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide
CID 106150602
N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567

Frequently Asked Questions

What is the IUPAC name of 4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide (CID 106430253) is 4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide is CNc1ccc(S(=O)(=O)NCCSC(F)(F)F)cc1.
What is the InChIKey of 4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
The InChIKey is UXFSBSSSOQYCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3N2O2S2/c1-14-8-2-4-9(5-3-8)19(16,17)15-6-7-18-10(11,12)13/h2-5,14-15H,6-7H2,1H3.
What are the key properties of 4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide?
4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide has a molecular weight of 314.35 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methylamino)-N-[2-(trifluoromethylsulfanyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106430253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).