N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide

C9H10F3NO2S2 — CID 25013612

IUPACN,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)SC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2S2/c1-7-3-5-8(6-4-7)17(14,15)13(2)16-9(10,11)12/h3-6H,1-2H3
InChIKeyIYHCILKSORKFNW-UHFFFAOYSA-N
MW285.31 g/mol
LogP2.78
Rot. Bonds3

About N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide

N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide (PubChem CID 25013612) has the molecular formula C9H10F3NO2S2 and a molecular weight of 285.31 g/mol. Its IUPAC name is N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide
PubChem CID25013612
Molecular FormulaC9H10F3NO2S2
Molecular Weight285.31 g/mol
Exact Mass285.01
IUPAC NameN,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C)SC(F)(F)F)cc1
InChIInChI=1S/C9H10F3NO2S2/c1-7-3-5-8(6-4-7)17(14,15)13(2)16-9(10,11)12/h3-6H,1-2H3
InChIKeyIYHCILKSORKFNW-UHFFFAOYSA-N
XLogP2.78
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide (CID 25013612) is N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C)SC(F)(F)F)cc1.
What is the InChIKey of N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide?
The InChIKey is IYHCILKSORKFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2S2/c1-7-3-5-8(6-4-7)17(14,15)13(2)16-9(10,11)12/h3-6H,1-2H3.
What are the key properties of N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide?
N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide has a molecular weight of 285.31 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(trifluoromethylsulfanyl)benzenesulfonamide is sourced from PubChem (CID 25013612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).