2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide

C22H19ClF2N2O3S — CID 28545696

IUPAC2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide
SMILESCc1ccccc1CN(CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClF2N2O3S/c1-15-4-2-3-5-16(15)13-27(31(29,30)19-9-6-17(23)7-10-19)14-22(28)26-21-12-18(24)8-11-20(21)25/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyCPOFBNJWDMNRHT-UHFFFAOYSA-N
MW464.92 g/mol
LogP4.76
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide (PubChem CID 28545696) has the molecular formula C22H19ClF2N2O3S and a molecular weight of 464.92 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide
PubChem CID28545696
Molecular FormulaC22H19ClF2N2O3S
Molecular Weight464.92 g/mol
Exact Mass464.08
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide
SMILESCc1ccccc1CN(CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C22H19ClF2N2O3S/c1-15-4-2-3-5-16(15)13-27(31(29,30)19-9-6-17(23)7-10-19)14-22(28)26-21-12-18(24)8-11-20(21)25/h2-12H,13-14H2,1H3,(H,26,28)
InChIKeyCPOFBNJWDMNRHT-UHFFFAOYSA-N
XLogP4.76
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.92
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dichlorophenyl)acetamide
CID 126070281
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,4-dimethylphenyl)acetamide
CID 126069329
2-[(4-chlorophenyl)sulfonyl-ethylamino]-N-(2,5-difluorophenyl)acetamide
CID 28547200
4-chloro-N-(2-hydrazinyl-2-oxoethyl)-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 126069709
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401281
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126087455
2-[(4-bromophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 43872024
2-[(4-chlorophenyl)sulfonyl-[(3,4-dichlorophenyl)methyl]amino]-N-(5-fluoro-2-methylphenyl)acetamide
CID 28543814
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 1284016
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]acetamide
CID 2193098
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 126212387
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(2-ethyl-6-methylphenyl)acetamide
CID 2620856

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide (CID 28545696) is 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide is Cc1ccccc1CN(CC(=O)Nc1cc(F)ccc1F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide?
The InChIKey is CPOFBNJWDMNRHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClF2N2O3S/c1-15-4-2-3-5-16(15)13-27(31(29,30)19-9-6-17(23)7-10-19)14-22(28)26-21-12-18(24)8-11-20(21)25/h2-12H,13-14H2,1H3,(H,26,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide has a molecular weight of 464.92 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-(2,5-difluorophenyl)acetamide is sourced from PubChem (CID 28545696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).