2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

C22H17ClF4N2O4S — CID 28555605

IUPAC2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C22H17ClF4N2O4S/c1-13-10-17(34(31,32)29-15-4-2-14(23)3-5-15)7-9-20(13)33-12-21(30)28-16-6-8-19(24)18(11-16)22(25,26)27/h2-11,29H,12H2,1H3,(H,28,30)
InChIKeyRTNAOCIROQLMTE-UHFFFAOYSA-N
MW516.90 g/mol
LogP5.62
Rot. Bonds7

About 2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide

2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (PubChem CID 28555605) has the molecular formula C22H17ClF4N2O4S and a molecular weight of 516.90 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
PubChem CID28555605
Molecular FormulaC22H17ClF4N2O4S
Molecular Weight516.90 g/mol
Exact Mass516.05
IUPAC Name2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C22H17ClF4N2O4S/c1-13-10-17(34(31,32)29-15-4-2-14(23)3-5-15)7-9-20(13)33-12-21(30)28-16-6-8-19(24)18(11-16)22(25,26)27/h2-11,29H,12H2,1H3,(H,28,30)
InChIKeyRTNAOCIROQLMTE-UHFFFAOYSA-N
XLogP5.62
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.90
LogP ≤ 55.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-fluoro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 28554818
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388488
2-[2-chloro-4-(2-methoxyethylsulfamoyl)phenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide
CID 28556342
2-(4-chloro-2-methylphenoxy)-N-[4-[(3,5-dimethylphenyl)sulfamoyl]phenyl]acetamide
CID 1013139
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388597
N-(4-bromo-2,6-diethylphenyl)-2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796799
N-[4-fluoro-3-(trifluoromethyl)phenyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28560482
N-[4-(cyanomethyl)phenyl]-2-[4-[(4-fluorophenyl)sulfamoyl]-2-methylphenoxy]acetamide
CID 100796591
N-[4-fluoro-3-(trifluoromethyl)phenyl]-3,4-dimethylbenzenesulfonamide
CID 60596501
N-(1,3-benzodioxol-5-yl)-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 4243991
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 28555570
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide (CID 28555605) is 2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is Cc1cc(S(=O)(=O)Nc2ccc(Cl)cc2)ccc1OCC(=O)Nc1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RTNAOCIROQLMTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClF4N2O4S/c1-13-10-17(34(31,32)29-15-4-2-14(23)3-5-15)7-9-20(13)33-12-21(30)28-16-6-8-19(24)18(11-16)22(25,26)27/h2-11,29H,12H2,1H3,(H,28,30).
What are the key properties of 2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide?
2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide has a molecular weight of 516.90 g/mol, XLogP of 5.62, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)sulfamoyl]-2-methylphenoxy]-N-[4-fluoro-3-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 28555605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).