2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide

C15H16N2O3S — CID 1094087

IUPAC2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C15H16N2O3S/c1-12-6-5-9-14(16-12)17-15(18)11-21(19,20)10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,16,17,18)
InChIKeyVUCOUNLBXVTVMW-UHFFFAOYSA-N
MW304.37 g/mol
LogP1.94
Rot. Bonds5

About 2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide

2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide (PubChem CID 1094087) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide.

Molecular Properties

Compound Name2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide
PubChem CID1094087
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide
SMILESCc1cccc(NC(=O)CS(=O)(=O)Cc2ccccc2)n1
InChIInChI=1S/C15H16N2O3S/c1-12-6-5-9-14(16-12)17-15(18)11-21(19,20)10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,16,17,18)
InChIKeyVUCOUNLBXVTVMW-UHFFFAOYSA-N
XLogP1.94
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide?
The IUPAC name of 2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide (CID 1094087) is 2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide.
What is the SMILES notation for 2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide?
The canonical SMILES for 2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide is Cc1cccc(NC(=O)CS(=O)(=O)Cc2ccccc2)n1.
What is the InChIKey of 2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide?
The InChIKey is VUCOUNLBXVTVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c1-12-6-5-9-14(16-12)17-15(18)11-21(19,20)10-13-7-3-2-4-8-13/h2-9H,10-11H2,1H3,(H,16,17,18).
What are the key properties of 2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide?
2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide has a molecular weight of 304.37 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzylsulfonyl-N-(6-methyl-2-pyridinyl)acetamide is sourced from PubChem (CID 1094087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).