N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide

C11H15NO3S — CID 593183

IUPACN,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide
SMILESCC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO3S/c1-9-4-6-11(7-5-9)16(14,15)12(3)8-10(2)13/h4-7H,8H2,1-3H3
InChIKeyLENVUJBODPWQBK-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.20
Rot. Bonds4

About N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide

N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide (PubChem CID 593183) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide.

Molecular Properties

Compound NameN,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide
PubChem CID593183
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide
SMILESCC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C11H15NO3S/c1-9-4-6-11(7-5-9)16(14,15)12(3)8-10(2)13/h4-7H,8H2,1-3H3
InChIKeyLENVUJBODPWQBK-UHFFFAOYSA-N
XLogP1.20
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 ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide?
The IUPAC name of N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide (CID 593183) is N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide.
What is the SMILES notation for N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide?
The canonical SMILES for N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide is CC(=O)CN(C)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide?
The InChIKey is LENVUJBODPWQBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-9-4-6-11(7-5-9)16(14,15)12(3)8-10(2)13/h4-7H,8H2,1-3H3.
What are the key properties of N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide?
N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,4-dimethyl-N-(2-oxopropyl)benzenesulfonamide is sourced from PubChem (CID 593183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).