N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide

C17H17F3N2O4S — CID 90534845

IUPACN-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-11(23)22-14-6-8-15(9-7-14)27(25,26)21-10-16(24)12-2-4-13(5-3-12)17(18,19)20/h2-9,16,21,24H,10H2,1H3,(H,22,23)
InChIKeyRCFDWRWFGLVXGJ-UHFFFAOYSA-N
MW402.39 g/mol
LogP2.68
Rot. Bonds6

About N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide

N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide (PubChem CID 90534845) has the molecular formula C17H17F3N2O4S and a molecular weight of 402.39 g/mol. Its IUPAC name is N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
PubChem CID90534845
Molecular FormulaC17H17F3N2O4S
Molecular Weight402.39 g/mol
Exact Mass402.09
IUPAC NameN-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C17H17F3N2O4S/c1-11(23)22-14-6-8-15(9-7-14)27(25,26)21-10-16(24)12-2-4-13(5-3-12)17(18,19)20/h2-9,16,21,24H,10H2,1H3,(H,22,23)
InChIKeyRCFDWRWFGLVXGJ-UHFFFAOYSA-N
XLogP2.68
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.39
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-hydroxy-2-(4-methylsulfanylphenyl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 90581968
N'-(4-acetamidophenyl)-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]oxamide
CID 90534917
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3,4-dimethoxybenzenesulfonamide
CID 90534852
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 90534857
3-fluoro-N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-4-methoxybenzenesulfonamide
CID 90534836
N-[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 56765486
N-[4-(2,3-dihydroxypropylsulfamoyl)phenyl]acetamide
CID 66176694
N-[4-[[(2S)-2-[(4-acetamidophenyl)sulfonylamino]propyl]sulfamoyl]phenyl]acetamide
CID 2179183
N-[(2S)-2-hydroxy-2-(1-methylindol-5-yl)ethyl]-4-(trifluoromethyl)benzenesulfonamide
CID 124842203
2-hydroxy-3-[[4-(trifluoromethyl)phenyl]sulfonylamino]propanamide
CID 107396859
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
N-(2-ethylbutyl)-4-(trifluoromethyl)benzenesulfonamide
CID 115613428

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide (CID 90534845) is N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)NCC(O)c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide?
The InChIKey is RCFDWRWFGLVXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O4S/c1-11(23)22-14-6-8-15(9-7-14)27(25,26)21-10-16(24)12-2-4-13(5-3-12)17(18,19)20/h2-9,16,21,24H,10H2,1H3,(H,22,23).
What are the key properties of N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide has a molecular weight of 402.39 g/mol, XLogP of 2.68, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 90534845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).