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

C18H12F5N3O3S2 — CID 87488150

IUPAC3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)c(F)c1)c1ccc(S(=O)(=O)Nc2nccs2)c(F)c1
InChIInChI=1S/C18H12F5N3O3S2/c19-13-7-10(1-3-12(13)18(21,22)23)9-25-16(27)11-2-4-15(14(20)8-11)31(28,29)26-17-24-5-6-30-17/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKeyRRURQMAVHLMISE-UHFFFAOYSA-N
MW477.44 g/mol
LogP4.17
Rot. Bonds6

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

3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87488150) has the molecular formula C18H12F5N3O3S2 and a molecular weight of 477.44 g/mol. Its IUPAC name is 3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound Name3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87488150
Molecular FormulaC18H12F5N3O3S2
Molecular Weight477.44 g/mol
Exact Mass477.02
IUPAC Name3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)c(F)c1)c1ccc(S(=O)(=O)Nc2nccs2)c(F)c1
InChIInChI=1S/C18H12F5N3O3S2/c19-13-7-10(1-3-12(13)18(21,22)23)9-25-16(27)11-2-4-15(14(20)8-11)31(28,29)26-17-24-5-6-30-17/h1-8H,9H2,(H,24,26)(H,25,27)
InChIKeyRRURQMAVHLMISE-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

N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-3-fluoro-4-[(5-fluoro-1,3-thiazol-2-yl)sulfamoyl]benzamide
CID 87482449
3-chloro-4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzamide
CID 87487407
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149
2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487462
3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87487863
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486353
4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87488219
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
4-bromo-2-fluoro-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 25138353
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
2-fluoro-5-(propylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031681

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of 3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87488150) is 3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for 3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for 3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is O=C(NCc1ccc(C(F)(F)F)c(F)c1)c1ccc(S(=O)(=O)Nc2nccs2)c(F)c1.
What is the InChIKey of 3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is RRURQMAVHLMISE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12F5N3O3S2/c19-13-7-10(1-3-12(13)18(21,22)23)9-25-16(27)11-2-4-15(14(20)8-11)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 3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
3-fluoro-N-[[3-fluoro-4-(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 3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87488150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).