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

C22H20ClFN2O4S — CID 100518354

IUPAC2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-22(2,30-19-11-3-15(23)4-12-19)21(27)25-17-9-13-20(14-10-17)31(28,29)26-18-7-5-16(24)6-8-18/h3-14,26H,1-2H3,(H,25,27)
InChIKeyIJPGXPYWWGAFSW-UHFFFAOYSA-N
MW462.93 g/mol
LogP5.08
Rot. Bonds7

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

2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide (PubChem CID 100518354) has the molecular formula C22H20ClFN2O4S and a molecular weight of 462.93 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
PubChem CID100518354
Molecular FormulaC22H20ClFN2O4S
Molecular Weight462.93 g/mol
Exact Mass462.08
IUPAC Name2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
SMILESCC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1
InChIInChI=1S/C22H20ClFN2O4S/c1-22(2,30-19-11-3-15(23)4-12-19)21(27)25-17-9-13-20(14-10-17)31(28,29)26-18-7-5-16(24)6-8-18/h3-14,26H,1-2H3,(H,25,27)
InChIKeyIJPGXPYWWGAFSW-UHFFFAOYSA-N
XLogP5.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.93
LogP ≤ 55.08
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-[(2-chlorophenyl)sulfamoyl]phenyl]-2-methylpropanamide
CID 100518441
2-(4-fluorophenoxy)-N-(4-fluorophenyl)sulfonyl-2-methylpropanamide
CID 87011295
4-chloro-N-[4-(4-fluorobenzoyl)phenyl]benzenesulfonamide
CID 1375859
(2S)-2-[4-[(4-fluorophenyl)sulfonylamino]anilino]-N-[4-(trifluoromethoxy)phenyl]propanamide
CID 41153856
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]benzamide
CID 888392
2-(4-chlorophenoxy)-N-(4-ethylphenyl)-2-methylpropanamide
CID 887329
4-chloro-N-(4-methoxyphenyl)benzenesulfonamide
CID 722849
2-(4-chlorophenoxy)-N-(3,5-dimethoxyphenyl)-2-methylpropanamide
CID 848261
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]acetamide
CID 43880636
4-[[2-(4-chlorophenoxy)-2-methylpropanoyl]amino]-N-methylbenzamide
CID 2679907
2-(4-fluorophenoxy)-N-[4-(2-hydroxyethyl)phenyl]-2-methylpropanamide
CID 110902168

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide?
The IUPAC name of 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide (CID 100518354) is 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide?
The canonical SMILES for 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide is CC(C)(Oc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide?
The InChIKey is IJPGXPYWWGAFSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O4S/c1-22(2,30-19-11-3-15(23)4-12-19)21(27)25-17-9-13-20(14-10-17)31(28,29)26-18-7-5-16(24)6-8-18/h3-14,26H,1-2H3,(H,25,27).
What are the key properties of 2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide?
2-(4-chlorophenoxy)-N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide has a molecular weight of 462.93 g/mol, XLogP of 5.08, 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-[(4-fluorophenyl)sulfamoyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 100518354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).