2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide

C21H17Cl2FN2O3S — CID 1284016

IUPAC2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C21H17Cl2FN2O3S/c22-16-5-11-19(12-6-16)30(28,29)26(13-15-3-1-2-4-20(15)23)14-21(27)25-18-9-7-17(24)8-10-18/h1-12H,13-14H2,(H,25,27)
InChIKeyVMDCDJCIUOCPQH-UHFFFAOYSA-N
MW467.35 g/mol
LogP4.96
Rot. Bonds7

About 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide

2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide (PubChem CID 1284016) has the molecular formula C21H17Cl2FN2O3S and a molecular weight of 467.35 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
PubChem CID1284016
Molecular FormulaC21H17Cl2FN2O3S
Molecular Weight467.35 g/mol
Exact Mass466.03
IUPAC Name2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide
SMILESO=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1
InChIInChI=1S/C21H17Cl2FN2O3S/c22-16-5-11-19(12-6-16)30(28,29)26(13-15-3-1-2-4-20(15)23)14-21(27)25-18-9-7-17(24)8-10-18/h1-12H,13-14H2,(H,25,27)
InChIKeyVMDCDJCIUOCPQH-UHFFFAOYSA-N
XLogP4.96
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.35
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(4-chlorophenyl)acetamide
CID 126204931
2-[(4-chlorophenyl)sulfonyl-[(2-fluorophenyl)methyl]amino]-N-(4-methylphenyl)acetamide
CID 126058172
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[4-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 99967215
N-(4-acetamidophenyl)-2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 126083141
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
CID 30401134
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
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4-difluorophenyl)acetamide
CID 126212387
2-[(4-chlorophenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-(3,4-difluorophenyl)acetamide
CID 28544810
2-[4-[[2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]acetyl]amino]phenyl]acetamide
CID 100794687
methyl 4-[[2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]acetyl]amino]benzoate
CID 126069396
2-[(4-chlorophenyl)sulfonyl-[(2-methylphenyl)methyl]amino]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 126087455

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
The IUPAC name of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide (CID 1284016) is 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide is O=C(CN(Cc1ccccc1Cl)S(=O)(=O)c1ccc(Cl)cc1)Nc1ccc(F)cc1.
What is the InChIKey of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
The InChIKey is VMDCDJCIUOCPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17Cl2FN2O3S/c22-16-5-11-19(12-6-16)30(28,29)26(13-15-3-1-2-4-20(15)23)14-21(27)25-18-9-7-17(24)8-10-18/h1-12H,13-14H2,(H,25,27).
What are the key properties of 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide?
2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide has a molecular weight of 467.35 g/mol, XLogP of 4.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl-(4-chlorophenyl)sulfonylamino]-N-(4-fluorophenyl)acetamide is sourced from PubChem (CID 1284016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).