2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide

C21H18Cl2N2O3S — CID 154873533

IUPAC2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ccc(S(C)(=O)=O)cc2Cl)c1
InChIInChI=1S/C21H18Cl2N2O3S/c1-13-5-6-24-12-20(13)25-21(26)9-14-7-15(10-16(22)8-14)18-4-3-17(11-19(18)23)29(2,27)28/h3-8,10-12H,9H2,1-2H3,(H,25,26)
InChIKeyVYNTZCCGGDYLMZ-UHFFFAOYSA-N
MW449.36 g/mol
LogP4.95
Rot. Bonds5

About 2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide

2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide (PubChem CID 154873533) has the molecular formula C21H18Cl2N2O3S and a molecular weight of 449.36 g/mol. Its IUPAC name is 2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
PubChem CID154873533
Molecular FormulaC21H18Cl2N2O3S
Molecular Weight449.36 g/mol
Exact Mass448.04
IUPAC Name2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
SMILESCc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ccc(S(C)(=O)=O)cc2Cl)c1
InChIInChI=1S/C21H18Cl2N2O3S/c1-13-5-6-24-12-20(13)25-21(26)9-14-7-15(10-16(22)8-14)18-4-3-17(11-19(18)23)29(2,27)28/h3-8,10-12H,9H2,1-2H3,(H,25,26)
InChIKeyVYNTZCCGGDYLMZ-UHFFFAOYSA-N
XLogP4.95
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.36
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826552
2-[3-chloro-5-(oxetan-3-yloxy)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154873549
2-bromo-N-(4-methyl-3-pyridinyl)acetamide
CID 63678424
2-[3-(hydroxymethyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide
CID 154875992
2-(3-fluorophenyl)-N-(4-methyl-3-pyridinyl)acetamide
CID 154859403
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
N-(3-chloro-4-methylphenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 110771339
N-(2-methyl-5-methylsulfonylphenyl)-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 34194248
2-(4-chlorophenoxy)-N-(4-methyl-3-pyridinyl)acetamide
CID 56826553
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
3-(3,4-dichlorophenyl)-N-(4-methyl-3-pyridinyl)prop-2-enamide
CID 72687476
4-(2,4-dichlorophenyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 58108469

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The IUPAC name of 2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide (CID 154873533) is 2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide is Cc1ccncc1NC(=O)Cc1cc(Cl)cc(-c2ccc(S(C)(=O)=O)cc2Cl)c1.
What is the InChIKey of 2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
The InChIKey is VYNTZCCGGDYLMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18Cl2N2O3S/c1-13-5-6-24-12-20(13)25-21(26)9-14-7-15(10-16(22)8-14)18-4-3-17(11-19(18)23)29(2,27)28/h3-8,10-12H,9H2,1-2H3,(H,25,26).
What are the key properties of 2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide?
2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide has a molecular weight of 449.36 g/mol, XLogP of 4.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(2-chloro-4-methylsulfonylphenyl)phenyl]-N-(4-methyl-3-pyridinyl)acetamide is sourced from PubChem (CID 154873533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).