2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide

C16H16ClNO3S — CID 1488335

IUPAC2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CS(=O)(=O)Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO3S/c1-18(14-8-3-2-4-9-14)16(19)12-22(20,21)11-13-7-5-6-10-15(13)17/h2-10H,11-12H2,1H3
InChIKeyVQIKLYMBWUFVMQ-UHFFFAOYSA-N
MW337.83 g/mol
LogP2.92
Rot. Bonds5

About 2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide

2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide (PubChem CID 1488335) has the molecular formula C16H16ClNO3S and a molecular weight of 337.83 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide
PubChem CID1488335
Molecular FormulaC16H16ClNO3S
Molecular Weight337.83 g/mol
Exact Mass337.05
IUPAC Name2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide
SMILESCN(C(=O)CS(=O)(=O)Cc1ccccc1Cl)c1ccccc1
InChIInChI=1S/C16H16ClNO3S/c1-18(14-8-3-2-4-9-14)16(19)12-22(20,21)11-13-7-5-6-10-15(13)17/h2-10H,11-12H2,1H3
InChIKeyVQIKLYMBWUFVMQ-UHFFFAOYSA-N
XLogP2.92
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide?
The IUPAC name of 2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide (CID 1488335) is 2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide.
What is the SMILES notation for 2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide?
The canonical SMILES for 2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide is CN(C(=O)CS(=O)(=O)Cc1ccccc1Cl)c1ccccc1.
What is the InChIKey of 2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide?
The InChIKey is VQIKLYMBWUFVMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClNO3S/c1-18(14-8-3-2-4-9-14)16(19)12-22(20,21)11-13-7-5-6-10-15(13)17/h2-10H,11-12H2,1H3.
What are the key properties of 2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide?
2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide has a molecular weight of 337.83 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methylsulfonyl]-N-methyl-N-phenylacetamide is sourced from PubChem (CID 1488335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).