2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

C21H22ClF3N2O4S — CID 1008131

IUPAC2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H22ClF3N2O4S/c22-17-12-15(32(29,30)27-14-6-2-1-3-7-14)10-11-19(17)31-13-20(28)26-18-9-5-4-8-16(18)21(23,24)25/h4-5,8-12,14,27H,1-3,6-7,13H2,(H,26,28)
InChIKeyRBDPZORXMRGKCC-UHFFFAOYSA-N
MW490.93 g/mol
LogP4.99
Rot. Bonds7

About 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 1008131) has the molecular formula C21H22ClF3N2O4S and a molecular weight of 490.93 g/mol. Its IUPAC name is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID1008131
Molecular FormulaC21H22ClF3N2O4S
Molecular Weight490.93 g/mol
Exact Mass490.09
IUPAC Name2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H22ClF3N2O4S/c22-17-12-15(32(29,30)27-14-6-2-1-3-7-14)10-11-19(17)31-13-20(28)26-18-9-5-4-8-16(18)21(23,24)25/h4-5,8-12,14,27H,1-3,6-7,13H2,(H,26,28)
InChIKeyRBDPZORXMRGKCC-UHFFFAOYSA-N
XLogP4.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.93
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(2-methylsulfanylphenyl)acetamide
CID 1008134
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-(3-fluorophenyl)acetamide
CID 1264165
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetate
CID 6957749
methyl 4-[[2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]acetyl]amino]benzoate
CID 126360795
N-[4-chloro-2-(trifluoromethyl)phenyl]-2-[4-(cyclopentylsulfamoyl)phenoxy]acetamide
CID 45372513
N-(2-chlorophenyl)-2-[4-(cyclohexylsulfamoyl)phenoxy]acetamide
CID 45374374
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(4-piperidin-1-ylsulfonylphenyl)methyl]acetamide
CID 43875153
2-[2-chloro-4-(cyclopentylsulfamoyl)phenoxy]-N-[(1R)-1-(2-methoxyphenyl)ethyl]acetamide
CID 28556105
2-[4-(cyclohexylsulfamoyl)-2-methylphenoxy]-N-cyclopropylacetamide
CID 3634459
3-chloro-N-cyclohexyl-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]benzenesulfonamide
CID 1254813
3-chloro-N-cyclohexyl-4-(2-morpholin-4-yl-2-oxoethoxy)benzenesulfonamide
CID 1093381
2-(5-bromo-2-chlorophenoxy)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 112828407

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 1008131) is 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(COc1ccc(S(=O)(=O)NC2CCCCC2)cc1Cl)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RBDPZORXMRGKCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClF3N2O4S/c22-17-12-15(32(29,30)27-14-6-2-1-3-7-14)10-11-19(17)31-13-20(28)26-18-9-5-4-8-16(18)21(23,24)25/h4-5,8-12,14,27H,1-3,6-7,13H2,(H,26,28).
What are the key properties of 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 490.93 g/mol, XLogP of 4.99, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(cyclohexylsulfamoyl)phenoxy]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 1008131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).