2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide

C21H16ClF3N2O3S — CID 28544810

IUPAC2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H16ClF3N2O3S/c22-15-3-8-18(9-4-15)31(29,30)27(12-14-1-5-16(23)6-2-14)13-21(28)26-17-7-10-19(24)20(25)11-17/h1-11H,12-13H2,(H,26,28)
InChIKeyLUYHLCVUOZQIJN-UHFFFAOYSA-N
MW468.88 g/mol
LogP4.59
Rot. Bonds7

About 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide

2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide (PubChem CID 28544810) has the molecular formula C21H16ClF3N2O3S and a molecular weight of 468.88 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
PubChem CID28544810
Molecular FormulaC21H16ClF3N2O3S
Molecular Weight468.88 g/mol
Exact Mass468.05
IUPAC Name2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
SMILESO=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1
InChIInChI=1S/C21H16ClF3N2O3S/c22-15-3-8-18(9-4-15)31(29,30)27(12-14-1-5-16(23)6-2-14)13-21(28)26-17-7-10-19(24)20(25)11-17/h1-11H,12-13H2,(H,26,28)
InChIKeyLUYHLCVUOZQIJN-UHFFFAOYSA-N
XLogP4.59
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.88
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 987006
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(4-fluorophenyl)acetamide
CID 1324652
N-(3-acetamidophenyl)-2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]acetamide
CID 30883186
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126065991
2-[(4-chlorophenyl)methyl-(4-fluorophenyl)sulfonylamino]-N-hydroxyacetamide
CID 100984436
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(2,3,4-trifluorophenyl)acetamide
CID 28544802
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
CID 1284016
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-phenylacetamide
CID 23913704
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[4-(cyanomethyl)phenyl]acetamide
CID 100797716
2-[(4-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-methoxyphenyl)acetamide
CID 126012291
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[5-(dimethylsulfamoyl)-2-methylphenyl]acetamide
CID 100792145
2-[benzenesulfonyl-[(4-fluorophenyl)methyl]amino]-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide
CID 126064719

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide (CID 28544810) is 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide is O=C(CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)c(F)c1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide?
The InChIKey is LUYHLCVUOZQIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClF3N2O3S/c22-15-3-8-18(9-4-15)31(29,30)27(12-14-1-5-16(23)6-2-14)13-21(28)26-17-7-10-19(24)20(25)11-17/h1-11H,12-13H2,(H,26,28).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide?
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide has a molecular weight of 468.88 g/mol, XLogP of 4.59, 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-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide is sourced from PubChem (CID 28544810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).