2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide

C22H20ClFN2O3S — CID 2279264

IUPAC2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-15-3-10-20(11-4-15)30(28,29)26(21-12-5-17(23)13-16(21)2)14-22(27)25-19-8-6-18(24)7-9-19/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyXIXXTDIFPPQPGD-UHFFFAOYSA-N
MW446.93 g/mol
LogP4.93
Rot. Bonds6

About 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide

2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide (PubChem CID 2279264) has the molecular formula C22H20ClFN2O3S and a molecular weight of 446.93 g/mol. Its IUPAC name is 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
PubChem CID2279264
Molecular FormulaC22H20ClFN2O3S
Molecular Weight446.93 g/mol
Exact Mass446.09
IUPAC Name2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc2C)cc1
InChIInChI=1S/C22H20ClFN2O3S/c1-15-3-10-20(11-4-15)30(28,29)26(21-12-5-17(23)13-16(21)2)14-22(27)25-19-8-6-18(24)7-9-19/h3-13H,14H2,1-2H3,(H,25,27)
InChIKeyXIXXTDIFPPQPGD-UHFFFAOYSA-N
XLogP4.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.93
LogP ≤ 54.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30172400
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43880441
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 30172422
N-(3-chloro-4-fluorophenyl)-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034182
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(4-fluorophenyl)acetamide
CID 3611003
N-(4-acetamidophenyl)-2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]acetamide
CID 983021
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2,4-dimethylphenyl)acetamide
CID 30172343
N-(3,4-difluorophenyl)-2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)acetamide
CID 53279104
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-(4-methylphenyl)acetamide
CID 1361908
N-(4-chlorophenyl)-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 51345333
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]acetamide
CID 43881556
2-[N-(benzenesulfonyl)-4-chloro-2-methylanilino]-N-(4-bromophenyl)acetamide
CID 2273343

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide (CID 2279264) is 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(F)cc2)c2ccc(Cl)cc2C)cc1.
What is the InChIKey of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide?
The InChIKey is XIXXTDIFPPQPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClFN2O3S/c1-15-3-10-20(11-4-15)30(28,29)26(21-12-5-17(23)13-16(21)2)14-22(27)25-19-8-6-18(24)7-9-19/h3-13H,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide?
2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide has a molecular weight of 446.93 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 2279264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).