N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

C11H12F3NO2S — CID 21176284

IUPACN-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESC=CCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C11H12F3NO2S/c1-3-7-15(18(2,16)17)10-6-4-5-9(8-10)11(12,13)14/h3-6,8H,1,7H2,2H3
InChIKeyMBWZAUFNSQMGDL-UHFFFAOYSA-N
MW279.28 g/mol
LogP2.66
Rot. Bonds4

About N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 21176284) has the molecular formula C11H12F3NO2S and a molecular weight of 279.28 g/mol. Its IUPAC name is N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID21176284
Molecular FormulaC11H12F3NO2S
Molecular Weight279.28 g/mol
Exact Mass279.05
IUPAC NameN-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESC=CCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O
InChIInChI=1S/C11H12F3NO2S/c1-3-7-15(18(2,16)17)10-6-4-5-9(8-10)11(12,13)14/h3-6,8H,1,7H2,2H3
InChIKeyMBWZAUFNSQMGDL-UHFFFAOYSA-N
XLogP2.66
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.28
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-methylsulfanyl-N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 100516677
cyanomethyl 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 3395491
[(2S)-1-amino-1-oxopropan-2-yl] 3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 2550254
3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N,N-dipropylpropanamide
CID 113145264
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide
CID 100764146
N-(2,4-dimethylpentan-3-yl)-4-[N-methylsulfonyl-3-(trifluoromethyl)anilino]butanamide
CID 53286775
N-(3-oxo-3-pyrrolidin-1-ylpropyl)-N-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 113145245
methyl 3-[methyl-[3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]amino]propanoate
CID 55884354
3-(2,6-dimethylmorpholine-4-carbonyl)-N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 43002675
[(2S)-1-amino-1-oxopropan-2-yl] 4-chloro-3-[prop-2-enyl-[3-(trifluoromethyl)phenyl]sulfamoyl]benzoate
CID 2485309
N-(2-methylpropyl)-3-[N-methylsulfonyl-3-(trifluoromethyl)anilino]propanamide
CID 113145243
2-[N-methylsulfonyl-3-(trifluoromethyl)anilino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 1336235

Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 21176284) is N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is C=CCN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O.
What is the InChIKey of N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is MBWZAUFNSQMGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO2S/c1-3-7-15(18(2,16)17)10-6-4-5-9(8-10)11(12,13)14/h3-6,8H,1,7H2,2H3.
What are the key properties of N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 279.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-N-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 21176284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).