3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide

C24H22F3NO5S — CID 121315059

IUPAC3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
SMILESCOc1cc(/C=C\c2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC
InChIInChI=1S/C24H22F3NO5S/c1-31-21-13-17(14-22(32-2)23(21)33-3)11-10-16-6-4-8-19(12-16)28-34(29,30)20-9-5-7-18(15-20)24(25,26)27/h4-15,28H,1-3H3/b11-10-
InChIKeyHXOHIECOAXOSPW-KHPPLWFESA-N
MW493.50 g/mol
LogP5.70
Rot. Bonds8

About 3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide

3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide (PubChem CID 121315059) has the molecular formula C24H22F3NO5S and a molecular weight of 493.50 g/mol. Its IUPAC name is 3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
PubChem CID121315059
Molecular FormulaC24H22F3NO5S
Molecular Weight493.50 g/mol
Exact Mass493.12
IUPAC Name3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
SMILESCOc1cc(/C=C\c2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC
InChIInChI=1S/C24H22F3NO5S/c1-31-21-13-17(14-22(32-2)23(21)33-3)11-10-16-6-4-8-19(12-16)28-34(29,30)20-9-5-7-18(15-20)24(25,26)27/h4-15,28H,1-3H3/b11-10-
InChIKeyHXOHIECOAXOSPW-KHPPLWFESA-N
XLogP5.70
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.50
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121314914
3-methoxy-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;3-nitro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;4-(trifluoromethoxy)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;4-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 158315962
N-[3-hydroxy-2-methoxy-6-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 121314999
3-tert-butyl-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 121315042
(E)-N-[3-(trifluoromethyl)phenyl]sulfonyl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 39846619
3-amino-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;3-tert-butyl-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;3-fluoro-4-methoxy-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;3-fluoro-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;3-hydroxy-4-methoxy-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide
CID 162008014
N-[4-(trifluoromethyl)phenyl]sulfanyl-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145072366
4-methoxy-3-nitro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 7938669
ethane;N-[4-(trifluoromethyl)phenyl]sulfanyl-3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]aniline
CID 145072365
N-[4-(2-methoxyphenoxy)phenyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2194167
4-amino-N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide;N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-methoxybenzenesulfonamide;N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-(trifluoromethoxy)benzenesulfonamide;N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-3-(trifluoromethyl)benzenesulfonamide;N-[2,3-dimethoxy-5-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]-4-(trifluoromethyl)benzenesulfonamide
CID 157140642
1-N-methyl-3-N-[3-(trifluoromethyl)phenyl]benzene-1,3-disulfonamide
CID 49186446

Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
The IUPAC name of 3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide (CID 121315059) is 3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide is COc1cc(/C=C\c2cccc(NS(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc(OC)c1OC.
What is the InChIKey of 3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
The InChIKey is HXOHIECOAXOSPW-KHPPLWFESA-N. The full InChI is InChI=1S/C24H22F3NO5S/c1-31-21-13-17(14-22(32-2)23(21)33-3)11-10-16-6-4-8-19(12-16)28-34(29,30)20-9-5-7-18(15-20)24(25,26)27/h4-15,28H,1-3H3/b11-10-.
What are the key properties of 3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide?
3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide has a molecular weight of 493.50 g/mol, XLogP of 5.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-N-[3-[(Z)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 121315059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).