(E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide

C14H18F3NO2S — CID 55702806

IUPAC(E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H18F3NO2S/c1-12(2)10-18(11-14(15,16)17)21(19,20)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+
InChIKeyDPWDPKQYIAZWDP-CMDGGOBGSA-N
MW321.36 g/mol
LogP3.51
Rot. Bonds6

About (E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide

(E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide (PubChem CID 55702806) has the molecular formula C14H18F3NO2S and a molecular weight of 321.36 g/mol. Its IUPAC name is (E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide.

Molecular Properties

Compound Name(E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
PubChem CID55702806
Molecular FormulaC14H18F3NO2S
Molecular Weight321.36 g/mol
Exact Mass321.10
IUPAC Name(E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
SMILESCC(C)CN(CC(F)(F)F)S(=O)(=O)/C=C/c1ccccc1
InChIInChI=1S/C14H18F3NO2S/c1-12(2)10-18(11-14(15,16)17)21(19,20)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+
InChIKeyDPWDPKQYIAZWDP-CMDGGOBGSA-N
XLogP3.51
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.36
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(E)-2-(trifluoromethylsulfonyl)ethenyl]benzene
CID 10988246
N-(oxan-4-yl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide
CID 91939249
benzyl N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl(2-phenylethenylsulfonyl)amino]-1-phenylbutan-2-yl]carbamate
CID 508301
N-(2-methylpropyl)-N-[(1-methylpyrrol-2-yl)methyl]-2-[2-phenylethenylsulfonyl(prop-2-enyl)amino]acetamide
CID 3329821
(E)-N-ethyl-N-(3-hydroxypropyl)-2-phenylethenesulfonamide
CID 115755506
2-[(2-amino-2-oxoethyl)-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 107435617
2-[tert-butyl-[(E)-2-phenylethenyl]sulfonylamino]acetic acid
CID 19965196
2-[(2-chlorophenyl)methyl-[(E)-2-phenylethenyl]sulfonylamino]-N-(2,2,2-trifluoroethyl)acetamide
CID 6218341
ethyl 2-[[(E)-2-phenylethenyl]sulfonyl-propan-2-ylamino]acetate
CID 61022884
3-[ethyl-[(E)-2-phenylethenyl]sulfonylamino]propanoic acid
CID 55028770
[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958497
[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl] 2-[methyl-[(E)-2-phenylethenyl]sulfonylamino]acetate
CID 8958472

Frequently Asked Questions

What is the IUPAC name of (E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
The IUPAC name of (E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide (CID 55702806) is (E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide.
What is the SMILES notation for (E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
The canonical SMILES for (E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide is CC(C)CN(CC(F)(F)F)S(=O)(=O)/C=C/c1ccccc1.
What is the InChIKey of (E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
The InChIKey is DPWDPKQYIAZWDP-CMDGGOBGSA-N. The full InChI is InChI=1S/C14H18F3NO2S/c1-12(2)10-18(11-14(15,16)17)21(19,20)9-8-13-6-4-3-5-7-13/h3-9,12H,10-11H2,1-2H3/b9-8+.
What are the key properties of (E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide?
(E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide has a molecular weight of 321.36 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(2-methylpropyl)-2-phenyl-N-(2,2,2-trifluoroethyl)ethenesulfonamide is sourced from PubChem (CID 55702806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).