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

C17H13F3N2O4S — CID 20996594

IUPACN-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C17H13F3N2O4S/c18-17(19,20)12-2-1-3-13(10-12)21-16(24)11-4-6-14(7-5-11)22-15(23)8-9-27(22,25)26/h1-7,10H,8-9H2,(H,21,24)
InChIKeyQRRNXLKQSNUYFA-UHFFFAOYSA-N
MW398.36 g/mol
LogP3.02
Rot. Bonds3

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

N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (PubChem CID 20996594) has the molecular formula C17H13F3N2O4S and a molecular weight of 398.36 g/mol. Its IUPAC name is N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.

Molecular Properties

Compound NameN-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
PubChem CID20996594
Molecular FormulaC17H13F3N2O4S
Molecular Weight398.36 g/mol
Exact Mass398.05
IUPAC NameN-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
SMILESO=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1
InChIInChI=1S/C17H13F3N2O4S/c18-17(19,20)12-2-1-3-13(10-12)21-16(24)11-4-6-14(7-5-11)22-15(23)8-9-27(22,25)26/h1-7,10H,8-9H2,(H,21,24)
InChIKeyQRRNXLKQSNUYFA-UHFFFAOYSA-N
XLogP3.02
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-chloro-3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996612
4-(2-oxoimidazolidin-1-yl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 110860885
4-bromo-N-[3-(trifluoromethyl)phenyl]benzamide
CID 788568
4-sulfanyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 107020049
N-[3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 82092532
4-hydrazinyl-N-[3-(trifluoromethyl)phenyl]benzamide
CID 62238140
1-N-cyclopropyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043396
4-[(15S,19S)-16,18-dioxo-17-azapentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaen-17-yl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 1472523
4-[(2-methyl-3-oxocyclopenten-1-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 121470833
4-(azepane-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]benzamide
CID 109049168
N-(3,5-dichlorophenyl)-3-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 21007403
N-(2-ethyl-6-methylphenyl)-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide
CID 20996561

Frequently Asked Questions

What is the IUPAC name of N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The IUPAC name of N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide (CID 20996594) is N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide.
What is the SMILES notation for N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The canonical SMILES for N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(N2C(=O)CCS2(=O)=O)cc1.
What is the InChIKey of N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
The InChIKey is QRRNXLKQSNUYFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4S/c18-17(19,20)12-2-1-3-13(10-12)21-16(24)11-4-6-14(7-5-11)22-15(23)8-9-27(22,25)26/h1-7,10H,8-9H2,(H,21,24).
What are the key properties of N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide?
N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide has a molecular weight of 398.36 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(trifluoromethyl)phenyl]-4-(1,1,3-trioxo-1,2-thiazolidin-2-yl)benzamide is sourced from PubChem (CID 20996594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).