2,2-dimethyl-N-phenacylpropane-1-sulfonamide

C13H19NO3S — CID 64994451

IUPAC2,2-dimethyl-N-phenacylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-13(2,3)10-18(16,17)14-9-12(15)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeySHZCHWPYDYMXRX-UHFFFAOYSA-N
MW269.37 g/mol
LogP1.83
Rot. Bonds5

About 2,2-dimethyl-N-phenacylpropane-1-sulfonamide

2,2-dimethyl-N-phenacylpropane-1-sulfonamide (PubChem CID 64994451) has the molecular formula C13H19NO3S and a molecular weight of 269.37 g/mol. Its IUPAC name is 2,2-dimethyl-N-phenacylpropane-1-sulfonamide.

Molecular Properties

Compound Name2,2-dimethyl-N-phenacylpropane-1-sulfonamide
PubChem CID64994451
Molecular FormulaC13H19NO3S
Molecular Weight269.37 g/mol
Exact Mass269.11
IUPAC Name2,2-dimethyl-N-phenacylpropane-1-sulfonamide
SMILESCC(C)(C)CS(=O)(=O)NCC(=O)c1ccccc1
InChIInChI=1S/C13H19NO3S/c1-13(2,3)10-18(16,17)14-9-12(15)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3
InChIKeySHZCHWPYDYMXRX-UHFFFAOYSA-N
XLogP1.83
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.37
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-phenacylpropane-1-sulfonamide?
The IUPAC name of 2,2-dimethyl-N-phenacylpropane-1-sulfonamide (CID 64994451) is 2,2-dimethyl-N-phenacylpropane-1-sulfonamide.
What is the SMILES notation for 2,2-dimethyl-N-phenacylpropane-1-sulfonamide?
The canonical SMILES for 2,2-dimethyl-N-phenacylpropane-1-sulfonamide is CC(C)(C)CS(=O)(=O)NCC(=O)c1ccccc1.
What is the InChIKey of 2,2-dimethyl-N-phenacylpropane-1-sulfonamide?
The InChIKey is SHZCHWPYDYMXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO3S/c1-13(2,3)10-18(16,17)14-9-12(15)11-7-5-4-6-8-11/h4-8,14H,9-10H2,1-3H3.
What are the key properties of 2,2-dimethyl-N-phenacylpropane-1-sulfonamide?
2,2-dimethyl-N-phenacylpropane-1-sulfonamide has a molecular weight of 269.37 g/mol, XLogP of 1.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-phenacylpropane-1-sulfonamide is sourced from PubChem (CID 64994451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).