N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide

C17H17Cl2NO3S — CID 86925990

IUPACN-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
SMILESCc1cc(C)c(NC(=O)CS(=O)(=O)Cc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO3S/c1-11-7-12(2)17(15(19)8-11)20-16(21)10-24(22,23)9-13-5-3-4-6-14(13)18/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyBGROXGUCIMWXCQ-UHFFFAOYSA-N
MW386.30 g/mol
LogP4.16
Rot. Bonds5

About N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide

N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide (PubChem CID 86925990) has the molecular formula C17H17Cl2NO3S and a molecular weight of 386.30 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
PubChem CID86925990
Molecular FormulaC17H17Cl2NO3S
Molecular Weight386.30 g/mol
Exact Mass385.03
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
SMILESCc1cc(C)c(NC(=O)CS(=O)(=O)Cc2ccccc2Cl)c(Cl)c1
InChIInChI=1S/C17H17Cl2NO3S/c1-11-7-12(2)17(15(19)8-11)20-16(21)10-24(22,23)9-13-5-3-4-6-14(13)18/h3-8H,9-10H2,1-2H3,(H,20,21)
InChIKeyBGROXGUCIMWXCQ-UHFFFAOYSA-N
XLogP4.16
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.30
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(2-chlorophenyl)methylsulfonyl]-N-(3-methylphenyl)acetamide
CID 7731405
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-(2-methylphenyl)acetamide
CID 112998293
1-(2-chloro-4,6-dimethylphenyl)-3-[2-(2-chlorophenyl)ethyl]urea
CID 108900379
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-ethyl-1,3-thiazol-4-yl)methylsulfonyl]acetamide
CID 86989609
2-chloro-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 2110931
N-(2-aminoethyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 103291290
2-bromo-N-(2-chloro-4,6-dimethylphenyl)acetamide
CID 81223490
N-(2-chloro-4,6-dimethylphenyl)-2-(methylamino)acetamide
CID 83537406
2-[(4-bromophenyl)sulfonyl-[(2-chlorophenyl)methyl]amino]-N-(2,4,6-trimethylphenyl)acetamide
CID 126371863
N'-(2-chloro-4,6-dimethylphenyl)-N-[(2-methoxyphenyl)methyl]propanediamide
CID 108946925
N-(2-chloro-4,6-dimethylphenyl)-2-(2,6-difluoroanilino)acetamide
CID 109008818
N-(2-chloro-4,6-dimethylphenyl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 16621749

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide (CID 86925990) is N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide is Cc1cc(C)c(NC(=O)CS(=O)(=O)Cc2ccccc2Cl)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide?
The InChIKey is BGROXGUCIMWXCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2NO3S/c1-11-7-12(2)17(15(19)8-11)20-16(21)10-24(22,23)9-13-5-3-4-6-14(13)18/h3-8H,9-10H2,1-2H3,(H,20,21).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide?
N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide has a molecular weight of 386.30 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide is sourced from PubChem (CID 86925990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).