N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide

C16H15Cl2NO3S — CID 86926204

IUPACN-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
SMILESCc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-11-5-7-12(8-6-11)9-23(21,22)10-15(20)19-14-4-2-3-13(17)16(14)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyBDKFSBGQSTWCME-UHFFFAOYSA-N
MW372.27 g/mol
LogP3.86
Rot. Bonds5

About N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide

N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide (PubChem CID 86926204) has the molecular formula C16H15Cl2NO3S and a molecular weight of 372.27 g/mol. Its IUPAC name is N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
PubChem CID86926204
Molecular FormulaC16H15Cl2NO3S
Molecular Weight372.27 g/mol
Exact Mass371.01
IUPAC NameN-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
SMILESCc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(Cl)c2Cl)cc1
InChIInChI=1S/C16H15Cl2NO3S/c1-11-5-7-12(8-6-11)9-23(21,22)10-15(20)19-14-4-2-3-13(17)16(14)18/h2-8H,9-10H2,1H3,(H,19,20)
InChIKeyBDKFSBGQSTWCME-UHFFFAOYSA-N
XLogP3.86
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.27
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-benzylsulfonyl-N-(2-chlorophenyl)acetamide
CID 4306506
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylamino]acetamide
CID 108997146
2-[(4-chlorophenyl)methylsulfonyl]-N-(2,4-dimethylphenyl)acetamide
CID 17225150
N-(2-ethyl-6-methylphenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide
CID 86926194
2-[(4-chlorophenyl)sulfonyl-[(4-methylphenyl)methyl]amino]-N-(2,3-dichlorophenyl)acetamide
CID 4609360
N-(2-bromophenyl)-2-[(4-chlorophenyl)methylsulfonyl]acetamide
CID 17225191
N-(3-chloro-2-methylphenyl)-2-propylsulfonylacetamide
CID 47207514
N-(2,3-dichlorophenyl)-1-[(4-methylphenyl)methyl]piperidine-4-carboxamide
CID 45019585
N-(2,3-dichlorophenyl)-2-(4-propan-2-ylphenyl)acetamide
CID 41362554
2-(4-bromophenyl)-N-(2,3-dichlorophenyl)acetamide
CID 1346170
N-[2-(2,3-dichloroanilino)-2-oxoethyl]-2-(3-methylphenyl)acetamide
CID 113001513
N-(2,3-dichlorophenyl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112524517

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide (CID 86926204) is N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide is Cc1ccc(CS(=O)(=O)CC(=O)Nc2cccc(Cl)c2Cl)cc1.
What is the InChIKey of N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide?
The InChIKey is BDKFSBGQSTWCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2NO3S/c1-11-5-7-12(8-6-11)9-23(21,22)10-15(20)19-14-4-2-3-13(17)16(14)18/h2-8H,9-10H2,1H3,(H,19,20).
What are the key properties of N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide?
N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide has a molecular weight of 372.27 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichlorophenyl)-2-[(4-methylphenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 86926204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).