4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol

C10H12F3NO3S2 — CID 170699603

IUPAC4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol
SMILESC=Cc1ccc(S(=O)(=O)NSC(F)(F)F)cc1.CO
InChIInChI=1S/C9H8F3NO2S2.CH4O/c1-2-7-3-5-8(6-4-7)17(14,15)13-16-9(10,11)12;1-2/h2-6,13H,1H2;2H,1H3
InChIKeyOFHVMKDSGLFKAQ-UHFFFAOYSA-N
MW315.34 g/mol
LogP2.38
Rot. Bonds4

About 4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol

4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol (PubChem CID 170699603) has the molecular formula C10H12F3NO3S2 and a molecular weight of 315.34 g/mol. Its IUPAC name is 4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol.

Molecular Properties

Compound Name4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol
PubChem CID170699603
Molecular FormulaC10H12F3NO3S2
Molecular Weight315.34 g/mol
Exact Mass315.02
IUPAC Name4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol
SMILESC=Cc1ccc(S(=O)(=O)NSC(F)(F)F)cc1.CO
InChIInChI=1S/C9H8F3NO2S2.CH4O/c1-2-7-3-5-8(6-4-7)17(14,15)13-16-9(10,11)12;1-2/h2-6,13H,1H2;2H,1H3
InChIKeyOFHVMKDSGLFKAQ-UHFFFAOYSA-N
XLogP2.38
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;4-prop-1-en-2-yl-N-(trifluoromethylsulfanyl)benzenesulfonamide
CID 144868004
4-ethenyl-N-hydroxybenzenesulfonamide
CID 139935859
methyl 2-[(4-ethenylphenyl)sulfonylsulfamoyl]-2,2-difluoroacetate
CID 118906553
4-ethenylbenzenesulfonic acid;methanol
CID 172742090
ethane;N-(4-ethenylphenyl)sulfanyl-1,1,1-trifluoromethanesulfonamide
CID 144815079
4-ethenyl-N-sulfamoylbenzenesulfonamide
CID 169281535
(2S)-2-[(4-ethenylphenyl)sulfonylamino]-3-methylbutanoic acid
CID 15548255
4-ethenyl-N-hydroxy-N-(trifluoromethylsulfonyl)benzenesulfonamide
CID 162571871
4-[3-(4-ethenylphenoxy)-1,1,2,2,3,3-hexafluoropropoxy]benzenesulfonic acid
CID 89483805
4-[(4-ethenylphenyl)sulfonylamino]butanoic acid
CID 122067599
4-ethenyl-N-(3-hydroxypropyl)benzenesulfonamide
CID 67924061
N-butyl-4-ethenylbenzenesulfonamide
CID 20722248

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol?
The IUPAC name of 4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol (CID 170699603) is 4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol.
What is the SMILES notation for 4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol?
The canonical SMILES for 4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol is C=Cc1ccc(S(=O)(=O)NSC(F)(F)F)cc1.CO.
What is the InChIKey of 4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol?
The InChIKey is OFHVMKDSGLFKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3NO2S2.CH4O/c1-2-7-3-5-8(6-4-7)17(14,15)13-16-9(10,11)12;1-2/h2-6,13H,1H2;2H,1H3.
What are the key properties of 4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol?
4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol has a molecular weight of 315.34 g/mol, XLogP of 2.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-N-(trifluoromethylsulfanyl)benzenesulfonamide;methanol is sourced from PubChem (CID 170699603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).