2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

C19H19Cl2F3N2O4S — CID 2207126

IUPAC2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2F3N2O4S/c1-11(2)9-25-31(28,29)13-4-6-17(15(21)8-13)30-10-18(27)26-16-7-12(19(22,23)24)3-5-14(16)20/h3-8,11,25H,9-10H2,1-2H3,(H,26,27)
InChIKeyRURQFVWNKYKYBI-UHFFFAOYSA-N
MW499.34 g/mol
LogP4.96
Rot. Bonds8

About 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide

2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2207126) has the molecular formula C19H19Cl2F3N2O4S and a molecular weight of 499.34 g/mol. Its IUPAC name is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2207126
Molecular FormulaC19H19Cl2F3N2O4S
Molecular Weight499.34 g/mol
Exact Mass498.04
IUPAC Name2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
SMILESCC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1
InChIInChI=1S/C19H19Cl2F3N2O4S/c1-11(2)9-25-31(28,29)13-4-6-17(15(21)8-13)30-10-18(27)26-16-7-12(19(22,23)24)3-5-14(16)20/h3-8,11,25H,9-10H2,1-2H3,(H,26,27)
InChIKeyRURQFVWNKYKYBI-UHFFFAOYSA-N
XLogP4.96
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.34
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[2-methyl-4-[(4-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 126388597
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(2-phenylsulfanylphenyl)acetamide
CID 126274408
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-(3-chlorophenyl)acetamide
CID 126263338
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-propan-2-ylphenoxy)acetamide
CID 1184428
2-[4-[(4-chlorophenyl)sulfamoyl]phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 126397966
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[(2-chlorophenyl)methyl]acetamide
CID 126277429
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N,N-diethylacetamide
CID 1007844
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] (2R)-2-(carbamoylamino)propanoate
CID 2367757
[2-[2-chloro-5-(trifluoromethyl)anilino]-2-oxoethyl] 2-(carbamoylamino)propanoate
CID 3655422
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-[(3-methylphenyl)sulfamoyl]phenoxy]acetamide
CID 5139046
N-(2,6-dichlorophenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 5001110
N-(3-chloro-4-methoxyphenyl)-2-[2-methyl-4-(2-methylpropylsulfamoyl)phenoxy]acetamide
CID 1243560

Frequently Asked Questions

What is the IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide (CID 2207126) is 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is CC(C)CNS(=O)(=O)c1ccc(OCC(=O)Nc2cc(C(F)(F)F)ccc2Cl)c(Cl)c1.
What is the InChIKey of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is RURQFVWNKYKYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl2F3N2O4S/c1-11(2)9-25-31(28,29)13-4-6-17(15(21)8-13)30-10-18(27)26-16-7-12(19(22,23)24)3-5-14(16)20/h3-8,11,25H,9-10H2,1-2H3,(H,26,27).
What are the key properties of 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide?
2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 499.34 g/mol, XLogP of 4.96, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-chloro-4-(2-methylpropylsulfamoyl)phenoxy]-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2207126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).