4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide

C18H12Cl2F3N3O3S2 — CID 24947306

IUPAC4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2ncc(Cl)s2)cc1
InChIInChI=1S/C18H12Cl2F3N3O3S2/c19-14-7-10(1-6-13(14)18(21,22)23)8-24-16(27)11-2-4-12(5-3-11)31(28,29)26-17-25-9-15(20)30-17/h1-7,9H,8H2,(H,24,27)(H,25,26)
InChIKeyWGPZITXUTAILEP-UHFFFAOYSA-N
MW510.35 g/mol
LogP5.20
Rot. Bonds6

About 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide

4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide (PubChem CID 24947306) has the molecular formula C18H12Cl2F3N3O3S2 and a molecular weight of 510.35 g/mol. Its IUPAC name is 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide.

Molecular Properties

Compound Name4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide
PubChem CID24947306
Molecular FormulaC18H12Cl2F3N3O3S2
Molecular Weight510.35 g/mol
Exact Mass508.96
IUPAC Name4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide
SMILESO=C(NCc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2ncc(Cl)s2)cc1
InChIInChI=1S/C18H12Cl2F3N3O3S2/c19-14-7-10(1-6-13(14)18(21,22)23)8-24-16(27)11-2-4-12(5-3-11)31(28,29)26-17-25-9-15(20)30-17/h1-7,9H,8H2,(H,24,27)(H,25,26)
InChIKeyWGPZITXUTAILEP-UHFFFAOYSA-N
XLogP5.20
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.35
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzamide
CID 87487407
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-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87487118
4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87488219
4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[4-(2-cyanopropan-2-yl)phenyl]methyl]-2-fluorobenzamide
CID 45137612
N-[[4-chloro-3-(2-cyanopropan-2-yl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 45137461
4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 112812064
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
3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488150
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846
2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487462

Frequently Asked Questions

What is the IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide?
The IUPAC name of 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide (CID 24947306) is 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide.
What is the SMILES notation for 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide?
The canonical SMILES for 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide is O=C(NCc1ccc(C(F)(F)F)c(Cl)c1)c1ccc(S(=O)(=O)Nc2ncc(Cl)s2)cc1.
What is the InChIKey of 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide?
The InChIKey is WGPZITXUTAILEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12Cl2F3N3O3S2/c19-14-7-10(1-6-13(14)18(21,22)23)8-24-16(27)11-2-4-12(5-3-11)31(28,29)26-17-25-9-15(20)30-17/h1-7,9H,8H2,(H,24,27)(H,25,26).
What are the key properties of 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide?
4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide has a molecular weight of 510.35 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide is sourced from PubChem (CID 24947306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).