4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

C19H14F5N3O3S2 — CID 112812064

IUPAC4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1
InChIInChI=1S/C19H14F5N3O3S2/c20-15-6-1-11(8-16(15)21)7-13-9-25-18(31-13)27-32(29,30)14-4-2-12(3-5-14)17(28)26-10-19(22,23)24/h1-6,8-9H,7,10H2,(H,25,27)(H,26,28)
InChIKeyNCFAAJFGIJVODD-UHFFFAOYSA-N
MW491.46 g/mol
LogP4.11
Rot. Bonds7

About 4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide

4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (PubChem CID 112812064) has the molecular formula C19H14F5N3O3S2 and a molecular weight of 491.46 g/mol. Its IUPAC name is 4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.

Molecular Properties

Compound Name4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
PubChem CID112812064
Molecular FormulaC19H14F5N3O3S2
Molecular Weight491.46 g/mol
Exact Mass491.04
IUPAC Name4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
SMILESO=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1
InChIInChI=1S/C19H14F5N3O3S2/c20-15-6-1-11(8-16(15)21)7-13-9-25-18(31-13)27-32(29,30)14-4-2-12(3-5-14)17(28)26-10-19(22,23)24/h1-6,8-9H,7,10H2,(H,25,27)(H,26,28)
InChIKeyNCFAAJFGIJVODD-UHFFFAOYSA-N
XLogP4.11
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.46
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 112818482
methyl 3-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]benzoate
CID 112812076
N-[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]-2,5-difluorobenzenesulfonamide
CID 112812067
4-[(2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064232
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 112769091
N-[5-[(3-fluorophenyl)methyl]-1,3-thiazol-2-yl]-4-(methylsulfamoyl)benzamide
CID 37265916
4-[(4-bromo-2-fluorophenyl)sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 31579011
4-[(5-chloro-1,3-thiazol-2-yl)sulfamoyl]-N-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]benzamide
CID 24947306
4-[(4-fluoro-3-methylphenyl)sulfonylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 37064256
3-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]carbamoylamino]-2-hydroxy-2-methylpropanoic acid
CID 122074628
4-(cyclopropylsulfamoyl)-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzamide
CID 37038345
3-fluoro-4-methoxy-N-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,3-thiazol-2-yl]benzenesulfonamide
CID 112823123

Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The IUPAC name of 4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide (CID 112812064) is 4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide.
What is the SMILES notation for 4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The canonical SMILES for 4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)Nc2ncc(Cc3ccc(F)c(F)c3)s2)cc1.
What is the InChIKey of 4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
The InChIKey is NCFAAJFGIJVODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F5N3O3S2/c20-15-6-1-11(8-16(15)21)7-13-9-25-18(31-13)27-32(29,30)14-4-2-12(3-5-14)17(28)26-10-19(22,23)24/h1-6,8-9H,7,10H2,(H,25,27)(H,26,28).
What are the key properties of 4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide?
4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide has a molecular weight of 491.46 g/mol, XLogP of 4.11, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(3,4-difluorophenyl)methyl]-1,3-thiazol-2-yl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide is sourced from PubChem (CID 112812064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).