N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

C18H14F3N3O5S2 — CID 55824238

IUPACN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O5S2/c19-18(20,21)16-10-15(6-5-13(16)11-22)31(28,29)23-17(25)12-3-1-4-14(9-12)24-7-2-8-30(24,26)27/h1,3-6,9-10H,2,7-8H2,(H,23,25)
InChIKeyWDMFOGQTBPGWCY-UHFFFAOYSA-N
MW473.45 g/mol
LogP2.24
Rot. Bonds4

About N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide

N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 55824238) has the molecular formula C18H14F3N3O5S2 and a molecular weight of 473.45 g/mol. Its IUPAC name is N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID55824238
Molecular FormulaC18H14F3N3O5S2
Molecular Weight473.45 g/mol
Exact Mass473.03
IUPAC NameN-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
SMILESN#Cc1ccc(S(=O)(=O)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1C(F)(F)F
InChIInChI=1S/C18H14F3N3O5S2/c19-18(20,21)16-10-15(6-5-13(16)11-22)31(28,29)23-17(25)12-3-1-4-14(9-12)24-7-2-8-30(24,26)27/h1,3-6,9-10H,2,7-8H2,(H,23,25)
InChIKeyWDMFOGQTBPGWCY-UHFFFAOYSA-N
XLogP2.24
TPSA124.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.45
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)sulfonylbenzamide
CID 110166635
3-(1,1-dioxothiazinan-2-yl)-N-(4-methylsulfonylphenyl)sulfonylbenzamide
CID 110166859
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzene-1,2-dicarbonitrile
CID 107796090
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
[4-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzoyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55587048
N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-5-methyloxolane-2-carboxamide
CID 91644693
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluoro-4-methylphenyl)benzamide
CID 18134910
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-2-methylbutanamide
CID 94188912
N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-1-(2-fluorophenyl)pyrazole-3-carboxamide
CID 78895628
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078

Frequently Asked Questions

What is the IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide (CID 55824238) is N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is N#Cc1ccc(S(=O)(=O)NC(=O)c2cccc(N3CCCS3(=O)=O)c2)cc1C(F)(F)F.
What is the InChIKey of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is WDMFOGQTBPGWCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O5S2/c19-18(20,21)16-10-15(6-5-13(16)11-22)31(28,29)23-17(25)12-3-1-4-14(9-12)24-7-2-8-30(24,26)27/h1,3-6,9-10H,2,7-8H2,(H,23,25).
What are the key properties of N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide?
N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 473.45 g/mol, XLogP of 2.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-cyano-3-(trifluoromethyl)phenyl]sulfonyl-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 55824238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).