N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide

C16H14F3NO2S2 — CID 14536162

IUPACN-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESC=CCSc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2S2/c1-2-10-23-15-9-4-3-8-14(15)20-24(21,22)13-7-5-6-12(11-13)16(17,18)19/h2-9,11,20H,1,10H2
InChIKeyWCIDWRWQOXXVOC-UHFFFAOYSA-N
MW373.42 g/mol
LogP4.78
Rot. Bonds6

About N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide

N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 14536162) has the molecular formula C16H14F3NO2S2 and a molecular weight of 373.42 g/mol. Its IUPAC name is N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID14536162
Molecular FormulaC16H14F3NO2S2
Molecular Weight373.42 g/mol
Exact Mass373.04
IUPAC NameN-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESC=CCSc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H14F3NO2S2/c1-2-10-23-15-9-4-3-8-14(15)20-24(21,22)13-7-5-6-12(11-13)16(17,18)19/h2-9,11,20H,1,10H2
InChIKeyWCIDWRWQOXXVOC-UHFFFAOYSA-N
XLogP4.78
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-prop-2-enylsulfonylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536163
3,4-dimethyl-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
CID 8823884
N-(2-methylsulfinylphenyl)-3-(trifluoromethyl)benzenesulfonamide
CID 14536122
N-[2-(2,2-dimethylpropanoyl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 135058672
N-benzhydryl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 2333973
N-methyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 24502255
N-(2,2-diphenylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3312193
N-(4-bromonaphthalen-1-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 3562603
N,N-dimethyl-2-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25494632
5-bromo-2-methoxy-N-(2-prop-2-enylsulfanylphenyl)benzenesulfonamide
CID 8823907
5-amino-N-(2-prop-2-enylsulfanylphenyl)-1H-pyrazole-4-sulfonamide
CID 61126088
N-(2-phenylpropyl)-3-(trifluoromethyl)benzenesulfonamide
CID 43012056

Frequently Asked Questions

What is the IUPAC name of N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide (CID 14536162) is N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide is C=CCSc1ccccc1NS(=O)(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is WCIDWRWQOXXVOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3NO2S2/c1-2-10-23-15-9-4-3-8-14(15)20-24(21,22)13-7-5-6-12(11-13)16(17,18)19/h2-9,11,20H,1,10H2.
What are the key properties of N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide?
N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 373.42 g/mol, XLogP of 4.78, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-prop-2-enylsulfanylphenyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 14536162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).