1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide

C15H25NO2S — CID 2963215

IUPAC1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H25NO2S/c1-14(2,3)12-15(4,5)16-19(17,18)11-13-9-7-6-8-10-13/h6-10,16H,11-12H2,1-5H3
InChIKeyJBSYAWIJKCXFGR-UHFFFAOYSA-N
MW283.44 g/mol
LogP3.32
Rot. Bonds5

About 1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide

1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide (PubChem CID 2963215) has the molecular formula C15H25NO2S and a molecular weight of 283.44 g/mol. Its IUPAC name is 1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
PubChem CID2963215
Molecular FormulaC15H25NO2S
Molecular Weight283.44 g/mol
Exact Mass283.16
IUPAC Name1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide
SMILESCC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccccc1
InChIInChI=1S/C15H25NO2S/c1-14(2,3)12-15(4,5)16-19(17,18)11-13-9-7-6-8-10-13/h6-10,16H,11-12H2,1-5H3
InChIKeyJBSYAWIJKCXFGR-UHFFFAOYSA-N
XLogP3.32
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
The IUPAC name of 1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide (CID 2963215) is 1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
The canonical SMILES for 1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide is CC(C)(C)CC(C)(C)NS(=O)(=O)Cc1ccccc1.
What is the InChIKey of 1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
The InChIKey is JBSYAWIJKCXFGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2S/c1-14(2,3)12-15(4,5)16-19(17,18)11-13-9-7-6-8-10-13/h6-10,16H,11-12H2,1-5H3.
What are the key properties of 1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide?
1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide has a molecular weight of 283.44 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(2,4,4-trimethylpentan-2-yl)methanesulfonamide is sourced from PubChem (CID 2963215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).