2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

C18H12F5N3O3S2 — CID 87487462

IUPAC2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(F)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1F
InChIInChI=1S/C18H12F5N3O3S2/c19-14-4-1-10(7-13(14)18(21,22)23)9-25-16(27)12-3-2-11(8-15(12)20)31(28,29)26-17-24-5-6-30-17/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKeyWGQGYSHCJOSKRV-UHFFFAOYSA-N
MW477.44 g/mol
LogP4.17
Rot. Bonds6

About 2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide

2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87487462) has the molecular formula C18H12F5N3O3S2 and a molecular weight of 477.44 g/mol. Its IUPAC name is 2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87487462
Molecular FormulaC18H12F5N3O3S2
Molecular Weight477.44 g/mol
Exact Mass477.02
IUPAC Name2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(F)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1F
InChIInChI=1S/C18H12F5N3O3S2/c19-14-4-1-10(7-13(14)18(21,22)23)9-25-16(27)12-3-2-11(8-15(12)20)31(28,29)26-17-24-5-6-30-17/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKeyWGQGYSHCJOSKRV-UHFFFAOYSA-N
XLogP4.17
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488150
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486353
N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-2-(iodomethyl)-4-(1,2,4-thiadiazol-5-ylsulfamoyl)benzamide
CID 89392298
N-[[4-chloro-3-(2-cyanopropan-2-yl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 45137461
N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486453
N-[[4-chloro-3-(2-methylbut-3-yn-2-yl)cyclohexa-2,4-dien-1-yl]methyl]-2-fluoro-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 90962527
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 45137612
N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487390
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
N-[[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]methyl]bicyclo[1.1.0]butane-1-carboxamide
CID 167823833

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of 2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87487462) is 2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for 2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is O=C(NCc1ccc(F)c(C(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1F.
What is the InChIKey of 2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is WGQGYSHCJOSKRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O3S2/c19-14-4-1-10(7-13(14)18(21,22)23)9-25-16(27)12-3-2-11(8-15(12)20)31(28,29)26-17-24-5-6-30-17/h1-8H,9H2,(H,24,26)(H,25,27).
What are the key properties of 2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 477.44 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87487462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).