N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide

C23H17ClF6N2O5S — CID 43873449

IUPACN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1Cl
InChIInChI=1S/C23H17ClF6N2O5S/c1-36-20-7-2-15(11-19(20)24)32-38(34,35)18-5-3-17(4-6-18)37-12-21(33)31-16-9-13(22(25,26)27)8-14(10-16)23(28,29)30/h2-11,32H,12H2,1H3,(H,31,33)
InChIKeyZPWQAKKONSORJN-UHFFFAOYSA-N
MW582.91 g/mol
LogP6.20
Rot. Bonds8

About N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide

N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide (PubChem CID 43873449) has the molecular formula C23H17ClF6N2O5S and a molecular weight of 582.91 g/mol. Its IUPAC name is N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
PubChem CID43873449
Molecular FormulaC23H17ClF6N2O5S
Molecular Weight582.91 g/mol
Exact Mass582.05
IUPAC NameN-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
SMILESCOc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1Cl
InChIInChI=1S/C23H17ClF6N2O5S/c1-36-20-7-2-15(11-19(20)24)32-38(34,35)18-5-3-17(4-6-18)37-12-21(33)31-16-9-13(22(25,26)27)8-14(10-16)23(28,29)30/h2-11,32H,12H2,1H3,(H,31,33)
InChIKeyZPWQAKKONSORJN-UHFFFAOYSA-N
XLogP6.20
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500582.91
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 43873438
N-(4-bromo-2,6-dimethylphenyl)-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide
CID 100800533
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-(3,4-dimethoxyphenyl)acetamide
CID 126393662
N-(3,4-dimethylphenyl)-2-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenoxy]acetamide
CID 4241232
2-(2,4-dichlorophenoxy)-N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 43881529
N-(3-chloro-4-methoxyphenyl)-4-[2-oxo-2-[3-(trifluoromethyl)anilino]ethoxy]benzamide
CID 1191704
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1R)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554168
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 28554170
2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]-N-[(1S)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401976
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126397966
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(dimethylsulfamoyl)phenoxy]acetamide
CID 28554728

Frequently Asked Questions

What is the IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The IUPAC name of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide (CID 43873449) is N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide.
What is the SMILES notation for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The canonical SMILES for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide is COc1ccc(NS(=O)(=O)c2ccc(OCC(=O)Nc3cc(C(F)(F)F)cc(C(F)(F)F)c3)cc2)cc1Cl.
What is the InChIKey of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
The InChIKey is ZPWQAKKONSORJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF6N2O5S/c1-36-20-7-2-15(11-19(20)24)32-38(34,35)18-5-3-17(4-6-18)37-12-21(33)31-16-9-13(22(25,26)27)8-14(10-16)23(28,29)30/h2-11,32H,12H2,1H3,(H,31,33).
What are the key properties of N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide?
N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide has a molecular weight of 582.91 g/mol, XLogP of 6.20, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-bis(trifluoromethyl)phenyl]-2-[4-[(3-chloro-4-methoxyphenyl)sulfamoyl]phenoxy]acetamide is sourced from PubChem (CID 43873449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).