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

C18H13ClF3N3O4S2 — CID 87487863

IUPAC3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2nccs2)c(Cl)c1
InChIInChI=1S/C18H13ClF3N3O4S2/c19-14-9-12(4-5-15(14)31(27,28)25-17-23-6-7-30-17)16(26)24-10-11-2-1-3-13(8-11)29-18(20,21)22/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyYGOFDDRLFIHYPG-UHFFFAOYSA-N
MW491.90 g/mol
LogP4.43
Rot. Bonds7

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

3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 87487863) has the molecular formula C18H13ClF3N3O4S2 and a molecular weight of 491.90 g/mol. Its IUPAC name is 3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID87487863
Molecular FormulaC18H13ClF3N3O4S2
Molecular Weight491.90 g/mol
Exact Mass491.00
IUPAC Name3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESO=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2nccs2)c(Cl)c1
InChIInChI=1S/C18H13ClF3N3O4S2/c19-14-9-12(4-5-15(14)31(27,28)25-17-23-6-7-30-17)16(26)24-10-11-2-1-3-13(8-11)29-18(20,21)22/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyYGOFDDRLFIHYPG-UHFFFAOYSA-N
XLogP4.43
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.90
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87487118
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
2-N,4-N-bis[[3-(trifluoromethoxy)phenyl]methyl]pyridine-2,4-dicarboxamide
CID 10142418
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-3-fluoro-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87488219
3-chloro-4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]benzamide
CID 87487407
N-[[4-chloro-3-(2-cyanopropan-2-yl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 45137461
N-benzyl-3-(trifluoromethoxy)benzamide
CID 175307745
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
N-[(3-thiophen-2-ylpyrazin-2-yl)methyl]-3-(trifluoromethoxy)benzamide
CID 122163086
N-[(5-thiophen-2-yl-3-pyridinyl)methyl]-3-(trifluoromethoxy)benzamide
CID 91817311

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of 3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide (CID 87487863) is 3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for 3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for 3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide is O=C(NCc1cccc(OC(F)(F)F)c1)c1ccc(S(=O)(=O)Nc2nccs2)c(Cl)c1.
What is the InChIKey of 3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is YGOFDDRLFIHYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClF3N3O4S2/c19-14-9-12(4-5-15(14)31(27,28)25-17-23-6-7-30-17)16(26)24-10-11-2-1-3-13(8-11)29-18(20,21)22/h1-9H,10H2,(H,23,25)(H,24,26).
What are the key properties of 3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide?
3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 491.90 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 87487863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).