N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide

C11H15NO3S — CID 15369850

IUPACN,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide
SMILESCC(C(=O)c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C11H15NO3S/c1-9(16(14,15)12(2)3)11(13)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyINKRRSLKKQIJPH-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.15
Rot. Bonds4

About N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide

N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide (PubChem CID 15369850) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide
PubChem CID15369850
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide
SMILESCC(C(=O)c1ccccc1)S(=O)(=O)N(C)C
InChIInChI=1S/C11H15NO3S/c1-9(16(14,15)12(2)3)11(13)10-7-5-4-6-8-10/h4-9H,1-3H3
InChIKeyINKRRSLKKQIJPH-UHFFFAOYSA-N
XLogP1.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide?
The IUPAC name of N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide (CID 15369850) is N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide.
What is the SMILES notation for N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide?
The canonical SMILES for N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide is CC(C(=O)c1ccccc1)S(=O)(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide?
The InChIKey is INKRRSLKKQIJPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9(16(14,15)12(2)3)11(13)10-7-5-4-6-8-10/h4-9H,1-3H3.
What are the key properties of N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide?
N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.15, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-oxo-1-phenylpropane-2-sulfonamide is sourced from PubChem (CID 15369850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).