2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide

C22H20Cl2N2O4S — CID 100518441

IUPAC2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c1-22(2,30-17-11-7-15(23)8-12-17)21(27)25-16-9-13-18(14-10-16)31(28,29)26-20-6-4-3-5-19(20)24/h3-14,26H,1-2H3,(H,25,27)
InChIKeyVJFIAOAGUYXPIT-UHFFFAOYSA-N
MW479.39 g/mol
LogP5.59
Rot. Bonds7

About 2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide

2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 100518441) has the molecular formula C22H20Cl2N2O4S and a molecular weight of 479.39 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
PubChem CID100518441
Molecular FormulaC22H20Cl2N2O4S
Molecular Weight479.39 g/mol
Exact Mass478.05
IUPAC Name2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1
InChIInChI=1S/C22H20Cl2N2O4S/c1-22(2,30-17-11-7-15(23)8-12-17)21(27)25-16-9-13-18(14-10-16)31(28,29)26-20-6-4-3-5-19(20)24/h3-14,26H,1-2H3,(H,25,27)
InChIKeyVJFIAOAGUYXPIT-UHFFFAOYSA-N
XLogP5.59
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.39
LogP ≤ 55.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-2-methyl-N-[4-(phenylsulfamoyl)phenyl]propanamide
CID 100518219
2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 100518354
2-(4-chlorophenoxy)-2-methyl-N-(2-methylphenyl)propanamide
CID 2184934
2-(4-chlorophenoxy)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]sulfonylphenyl]-2-methylpropanamide
CID 17321010
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
methyl 2-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
CID 888208
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]pyrrolidine-1-carboxamide
CID 7376470
N-(2-chlorophenyl)-4-(methanesulfonamido)benzenesulfonamide
CID 2467720
N-(2-chlorophenyl)-N'-(4-methoxyphenyl)-2,2-dimethylpropanediamide
CID 108968862
1-[2-[(4-chlorophenyl)sulfonylamino]phenyl]-3-phenylurea
CID 16615674

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide (CID 100518441) is 2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is VJFIAOAGUYXPIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20Cl2N2O4S/c1-22(2,30-17-11-7-15(23)8-12-17)21(27)25-16-9-13-18(14-10-16)31(28,29)26-20-6-4-3-5-19(20)24/h3-14,26H,1-2H3,(H,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 479.39 g/mol, XLogP of 5.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 100518441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).