4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

C18H19F3N2O4S — CID 56765469

IUPAC4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-23(2)28(26,27)15-9-5-13(6-10-15)17(25)22-11-16(24)12-3-7-14(8-4-12)18(19,20)21/h3-10,16,24H,11H2,1-2H3,(H,22,25)
InChIKeyOJYVEVDQUSWFEY-UHFFFAOYSA-N
MW416.42 g/mol
LogP2.42
Rot. Bonds6

About 4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide

4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (PubChem CID 56765469) has the molecular formula C18H19F3N2O4S and a molecular weight of 416.42 g/mol. Its IUPAC name is 4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.

Molecular Properties

Compound Name4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
PubChem CID56765469
Molecular FormulaC18H19F3N2O4S
Molecular Weight416.42 g/mol
Exact Mass416.10
IUPAC Name4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C18H19F3N2O4S/c1-23(2)28(26,27)15-9-5-13(6-10-15)17(25)22-11-16(24)12-3-7-14(8-4-12)18(19,20)21/h3-10,16,24H,11H2,1-2H3,(H,22,25)
InChIKeyOJYVEVDQUSWFEY-UHFFFAOYSA-N
XLogP2.42
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.42
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-hydroxyethyl)-4-(4-sulfamoylphenyl)benzamide
CID 122194774
N-{4-[(1s)-1,2-Dihydroxyethyl]benzyl}-N-Methyl-4-(Phenylsulfamoyl)benzamide
CID 85325324
2-[[4-(Diethylsulfamoyl)benzoyl]amino]ethyl 2,4-difluorobenzoate
CID 2328727
(S)-3-Hydroxy-3-phenyl-2-(4-sulfamoyl-benzoylamino)-propionic acid
CID 44295397
N-[[4-(1,2-dihydroxyethyl)phenyl]methyl]-N-methyl-4-(phenylsulfamoyl)benzamide
CID 118720898
2-hydroxy-N-[(2S,3R)-3-hydroxy-4-[[(2S)-2-hydroxypropyl]-[4-(trifluoromethyl)phenyl]sulfonylamino]-1-phenylbutan-2-yl]benzamide
CID 156009811
2-hydroxy-N-[(2S,3R)-3-hydroxy-4-[[(2R)-2-hydroxypropyl]-[4-(trifluoromethyl)phenyl]sulfonylamino]-1-phenylbutan-2-yl]benzamide
CID 156013789
2-hydroxy-N-[(2S,3R)-3-hydroxy-4-[2-methylpropyl-[4-(trifluoromethyl)phenyl]sulfonylamino]-1-phenylbutan-2-yl]benzamide
CID 168273150
N-(2-hydroxy-2-phenylethyl)-3-(4-morpholinylsulfonyl)benzamide
CID 2979358
4-ethylsulfonyl-N-[2-hydroxy-2-(4-methylphenyl)ethyl]benzamide
CID 51098754
Methyl 4-({2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl}carbamoyl)benzoate
CID 56765446
N-(2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethyl)-2-(4-(isopropylsulfonyl)phenyl)acetamide
CID 56765470

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The IUPAC name of 4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide (CID 56765469) is 4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide.
What is the SMILES notation for 4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The canonical SMILES for 4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is CN(C)S(=O)(=O)c1ccc(C(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
The InChIKey is OJYVEVDQUSWFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O4S/c1-23(2)28(26,27)15-9-5-13(6-10-15)17(25)22-11-16(24)12-3-7-14(8-4-12)18(19,20)21/h3-10,16,24H,11H2,1-2H3,(H,22,25).
What are the key properties of 4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide?
4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide has a molecular weight of 416.42 g/mol, XLogP of 2.42, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylsulfamoyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]benzamide is sourced from PubChem (CID 56765469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).