N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide

C17H18ClNO3S — CID 86992897

IUPACN-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H18ClNO3S/c1-12-6-7-16(13(2)8-12)23(21,22)11-17(20)19-10-14-4-3-5-15(18)9-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyRMWXWCWRQHJDKI-UHFFFAOYSA-N
MW351.86 g/mol
LogP3.05
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide

N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide (PubChem CID 86992897) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide
PubChem CID86992897
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide
SMILESCc1ccc(S(=O)(=O)CC(=O)NCc2cccc(Cl)c2)c(C)c1
InChIInChI=1S/C17H18ClNO3S/c1-12-6-7-16(13(2)8-12)23(21,22)11-17(20)19-10-14-4-3-5-15(18)9-14/h3-9H,10-11H2,1-2H3,(H,19,20)
InChIKeyRMWXWCWRQHJDKI-UHFFFAOYSA-N
XLogP3.05
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
2-(2,4-dimethylphenyl)sulfonyl-N-(3-methylphenyl)acetamide
CID 86992898
N-[(3-chlorophenyl)methyl]propanamide
CID 17071125
N-[(3-chlorophenyl)methyl]-2-[[2-[(4-methylphenyl)sulfonylamino]acetyl]amino]acetamide
CID 9209869
N-[2-[(3-chlorophenyl)methylamino]-2-oxoethyl]-4-methylbenzamide
CID 46651307
ethyl 3-[(3-chlorophenyl)methylamino]-3-oxopropanoate
CID 154305485
2-(2,4-dimethylphenyl)sulfonyl-N-(2-ethyl-6-methylphenyl)acetamide
CID 86977651
2-[2-(3-chlorophenyl)ethylamino]-N-[(3-methylphenyl)methyl]acetamide
CID 108996919
N-[(3-chlorophenyl)methyl]-2-methoxyacetamide
CID 60636717
N-[(3-chlorophenyl)methyl]-2-(3,5-dimethylphenoxy)acetamide
CID 17071179
N-[2-(3-chlorophenyl)ethyl]-N'-[(4-methylphenyl)methyl]propanediamide
CID 108945758
N-[[3-(chloromethyl)phenyl]methyl]-2-methylsulfonylacetamide
CID 114302321

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide (CID 86992897) is N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide is Cc1ccc(S(=O)(=O)CC(=O)NCc2cccc(Cl)c2)c(C)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide?
The InChIKey is RMWXWCWRQHJDKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-12-6-7-16(13(2)8-12)23(21,22)11-17(20)19-10-14-4-3-5-15(18)9-14/h3-9H,10-11H2,1-2H3,(H,19,20).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide?
N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide has a molecular weight of 351.86 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(2,4-dimethylphenyl)sulfonylacetamide is sourced from PubChem (CID 86992897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).