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

C18H14F3N3O4S2 — CID 87488556

IUPAC4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H14F3N3O4S2/c19-18(20,21)28-14-5-1-12(2-6-14)11-23-16(25)13-3-7-15(8-4-13)30(26,27)24-17-22-9-10-29-17/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyKJLODJGQAIHSCK-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.77
Rot. Bonds7

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

4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 87488556) has the molecular formula C18H14F3N3O4S2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID87488556
Molecular FormulaC18H14F3N3O4S2
Molecular Weight457.46 g/mol
Exact Mass457.04
IUPAC Name4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H14F3N3O4S2/c19-18(20,21)28-14-5-1-12(2-6-14)11-23-16(25)13-3-7-15(8-4-13)30(26,27)24-17-22-9-10-29-17/h1-10H,11H2,(H,22,24)(H,23,25)
InChIKeyKJLODJGQAIHSCK-UHFFFAOYSA-N
XLogP3.77
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 87488556) is 4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1ccc(OC(F)(F)F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is KJLODJGQAIHSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14F3N3O4S2/c19-18(20,21)28-14-5-1-12(2-6-14)11-23-16(25)13-3-7-15(8-4-13)30(26,27)24-17-22-9-10-29-17/h1-10H,11H2,(H,22,24)(H,23,25).
What are the key properties of 4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 457.46 g/mol, XLogP of 3.77, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-ylsulfamoyl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 87488556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).