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

C18H13F4N3O3S2 — CID 87486353

IUPACN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H13F4N3O3S2/c19-13-4-1-12(15(9-13)18(20,21)22)10-24-16(26)11-2-5-14(6-3-11)30(27,28)25-17-23-7-8-29-17/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyZWQLUVYBNIBDOY-UHFFFAOYSA-N
MW459.45 g/mol
LogP4.03
Rot. Bonds6

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

N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (PubChem CID 87486353) has the molecular formula C18H13F4N3O3S2 and a molecular weight of 459.45 g/mol. Its IUPAC name is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
PubChem CID87486353
Molecular FormulaC18H13F4N3O3S2
Molecular Weight459.45 g/mol
Exact Mass459.03
IUPAC NameN-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
SMILESO=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C18H13F4N3O3S2/c19-13-4-1-12(15(9-13)18(20,21)22)10-24-16(26)11-2-5-14(6-3-11)30(27,28)25-17-23-7-8-29-17/h1-9H,10H2,(H,23,25)(H,24,26)
InChIKeyZWQLUVYBNIBDOY-UHFFFAOYSA-N
XLogP4.03
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.45
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87486453
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487495
N-[[3-fluoro-4-(trifluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488149
2-[[4-(1,3-thiazol-2-ylsulfamoyl)benzoyl]amino]acetic acid
CID 146122970
3-[4-fluoro-2-(trifluoromethyl)phenyl]-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]prop-2-enamide
CID 72530804
3-fluoro-N-[[3-fluoro-4-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488150
2-fluoro-N-[[4-fluoro-3-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487462
N-[(3-phenylphenyl)methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87488273
N-[[4-chloro-3-(2-cyanopropan-2-yl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 45137461
N-[2-(3,4-difluorophenyl)propan-2-yl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide
CID 87487390
4-(2-amino-2-oxoethoxy)-N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 78876425
4-[[(4-fluorophenyl)sulfonylamino]methyl]-N-(1,3-thiazol-2-yl)benzamide
CID 42580746

Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The IUPAC name of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide (CID 87486353) is N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide.
What is the SMILES notation for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The canonical SMILES for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is O=C(NCc1ccc(F)cc1C(F)(F)F)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
The InChIKey is ZWQLUVYBNIBDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F4N3O3S2/c19-13-4-1-12(15(9-13)18(20,21)22)10-24-16(26)11-2-5-14(6-3-11)30(27,28)25-17-23-7-8-29-17/h1-9H,10H2,(H,23,25)(H,24,26).
What are the key properties of N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide?
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide has a molecular weight of 459.45 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-4-(1,3-thiazol-2-ylsulfamoyl)benzamide is sourced from PubChem (CID 87486353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).