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

C18H13F4N3O4S2 — CID 87488149

IUPACN-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(OC(F)(F)F)c(F)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H13F4N3O4S2/c19-14-9-11(1-6-15(14)29-18(20,21)22)10-24-16(26)12-2-4-13(5-3-12)31(27,28)25-17-23-7-8-30-17/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyWSHDLPSLMANXJZ-UHFFFAOYSA-N
MW475.45 g/mol
LogP3.91
Rot. Bonds7

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

N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87488149) has the molecular formula C18H13F4N3O4S2 and a molecular weight of 475.45 g/mol. Its IUPAC name is N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87488149
Molecular FormulaC18H13F4N3O4S2
Molecular Weight475.45 g/mol
Exact Mass475.03
IUPAC NameN-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(OC(F)(F)F)c(F)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H13F4N3O4S2/c19-14-9-11(1-6-15(14)29-18(20,21)22)10-24-16(26)12-2-4-13(5-3-12)31(27,28)25-17-23-7-8-30-17/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyWSHDLPSLMANXJZ-UHFFFAOYSA-N
XLogP3.91
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.45
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486453
3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488150
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486353
2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487462
N-[[4-chloro-3-(2-cyanopropan-2-yl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 45137461
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
3-chloro-4-(1,3-thiazol-2-ylsulfamoyl)-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide
CID 87487863
N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487390
4-[(4-ethoxyphenyl)sulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]benzamide
CID 55678008
N-[[3-(2-aminopropan-2-yl)-4-fluorophenyl]methyl]-4-(pyridin-2-ylsulfamoyl)benzamide
CID 70905301

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87488149) is N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is O=C(NCc1ccc(OC(F)(F)F)c(F)c1)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is WSHDLPSLMANXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O4S2/c19-14-9-11(1-6-15(14)29-18(20,21)22)10-24-16(26)12-2-4-13(5-3-12)31(27,28)25-17-23-7-8-30-17/h1-9H,10H2,(H,23,25)(H,24,26).
What are the key properties of N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 475.45 g/mol, XLogP of 3.91, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87488149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).