4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C18H18F3NO3S — CID 112787907

IUPAC4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESC=CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18F3NO3S/c1-3-11-22(13-14-5-4-6-15(12-14)18(19,20)21)26(23,24)17-9-7-16(25-2)8-10-17/h3-10,12H,1,11,13H2,2H3
InChIKeyJIWBTOQJRLCFIC-UHFFFAOYSA-N
MW385.41 g/mol
LogP4.09
Rot. Bonds7

About 4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 112787907) has the molecular formula C18H18F3NO3S and a molecular weight of 385.41 g/mol. Its IUPAC name is 4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID112787907
Molecular FormulaC18H18F3NO3S
Molecular Weight385.41 g/mol
Exact Mass385.10
IUPAC Name4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESC=CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1
InChIInChI=1S/C18H18F3NO3S/c1-3-11-22(13-14-5-4-6-15(12-14)18(19,20)21)26(23,24)17-9-7-16(25-2)8-10-17/h3-10,12H,1,11,13H2,2H3
InChIKeyJIWBTOQJRLCFIC-UHFFFAOYSA-N
XLogP4.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.41
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-ethoxy-N-[(3-nitrophenyl)methyl]-N-prop-2-enylbenzenesulfonamide
CID 78766614
N-benzyl-4-ethoxy-N-prop-2-enylbenzenesulfonamide
CID 112788087
4-fluoro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787889
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]-N-methylacetamide
CID 55327246
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
N-(2-hydroxyethyl)-4-methoxy-N-prop-2-enylbenzenesulfonamide
CID 115622115
(2S)-2-(4-methoxyphenyl)sulfonyl-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 9168137
N-[2-[4-(4-methoxyphenyl)-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl]-2-oxoethyl]-N-prop-2-enyl-3-(trifluoromethyl)benzenesulfonamide
CID 3999437
N-benzyl-4-fluoro-N-prop-2-enylbenzenesulfonamide
CID 112788088
N,N-bis(prop-2-enyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 17154273
N-benzyl-2-[(4-methoxyphenyl)sulfonyl-prop-2-enylamino]acetamide
CID 17418244
2-chloro-N-[(3-cyanophenyl)methyl]-N-prop-2-enyl-5-(trifluoromethyl)benzenesulfonamide
CID 134045256

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of 4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 112787907) is 4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is C=CCN(Cc1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccc(OC)cc1.
What is the InChIKey of 4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is JIWBTOQJRLCFIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO3S/c1-3-11-22(13-14-5-4-6-15(12-14)18(19,20)21)26(23,24)17-9-7-16(25-2)8-10-17/h3-10,12H,1,11,13H2,2H3.
What are the key properties of 4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 385.41 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-prop-2-enyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 112787907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).