2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide

C18H18F4N2O6S — CID 19888166

IUPAC2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide
SMILESO=C(NCC(O)C(O)CO)c1ccccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F4N2O6S/c19-13-6-5-10(7-12(13)18(20,21)22)24-31(29,30)16-4-2-1-3-11(16)17(28)23-8-14(26)15(27)9-25/h1-7,14-15,24-27H,8-9H2,(H,23,28)
InChIKeyOISKQGYMVPUMLT-UHFFFAOYSA-N
MW466.41 g/mol
LogP1.09
Rot. Bonds8

About 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide

2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide (PubChem CID 19888166) has the molecular formula C18H18F4N2O6S and a molecular weight of 466.41 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide.

Molecular Properties

Compound Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide
PubChem CID19888166
Molecular FormulaC18H18F4N2O6S
Molecular Weight466.41 g/mol
Exact Mass466.08
IUPAC Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide
SMILESO=C(NCC(O)C(O)CO)c1ccccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C18H18F4N2O6S/c19-13-6-5-10(7-12(13)18(20,21)22)24-31(29,30)16-4-2-1-3-11(16)17(28)23-8-14(26)15(27)9-25/h1-7,14-15,24-27H,8-9H2,(H,23,28)
InChIKeyOISKQGYMVPUMLT-UHFFFAOYSA-N
XLogP1.09
TPSA135.96 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.41
LogP ≤ 51.09
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-1-N,3-N-bis(2,3,4-trihydroxybutyl)benzene-1,3-dicarboxamide
CID 67899872
3,5-dichloro-N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-hydroxybenzenesulfonamide
CID 3751185
methyl 2-[(3,4-difluorophenyl)sulfamoyl]benzoate
CID 8500923
2-[[4-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]benzoyl]amino]propanoic acid
CID 15676596
4-acetyl-N-[4-fluoro-3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 3694127
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]propanoic acid
CID 61457742
N-[(2S)-2-cyclopropyl-2-hydroxyethyl]-2-(trifluoromethyl)benzamide
CID 95388210
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
N-[(3,4-difluorophenyl)methyl]-2-(pyridin-3-ylsulfamoyl)benzamide
CID 58924303
N-(2-cyclopropyl-2-hydroxyethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 63298637
4-fluoro-N-(3-hydroxy-2-methylpropyl)-3-(trifluoromethyl)benzamide
CID 65037242
N-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methyl-1H-pyrazole-4-sulfonamide
CID 61228449

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide?
The IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide (CID 19888166) is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide.
What is the SMILES notation for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide?
The canonical SMILES for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide is O=C(NCC(O)C(O)CO)c1ccccc1S(=O)(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide?
The InChIKey is OISKQGYMVPUMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F4N2O6S/c19-13-6-5-10(7-12(13)18(20,21)22)24-31(29,30)16-4-2-1-3-11(16)17(28)23-8-14(26)15(27)9-25/h1-7,14-15,24-27H,8-9H2,(H,23,28).
What are the key properties of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide?
2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide has a molecular weight of 466.41 g/mol, XLogP of 1.09, 8 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]sulfamoyl]-N-(2,3,4-trihydroxybutyl)benzamide is sourced from PubChem (CID 19888166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).