N,N-diethyl-3,4-dimethylbenzenesulfonamide

C12H19NO2S — CID 883188

IUPACN,N-diethyl-3,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H19NO2S/c1-5-13(6-2)16(14,15)12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3
InChIKeyKNJLFZBLGQJBRZ-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.33
Rot. Bonds4

About N,N-diethyl-3,4-dimethylbenzenesulfonamide

N,N-diethyl-3,4-dimethylbenzenesulfonamide (PubChem CID 883188) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N,N-diethyl-3,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3,4-dimethylbenzenesulfonamide
PubChem CID883188
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN,N-diethyl-3,4-dimethylbenzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(C)c1
InChIInChI=1S/C12H19NO2S/c1-5-13(6-2)16(14,15)12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3
InChIKeyKNJLFZBLGQJBRZ-UHFFFAOYSA-N
XLogP2.33
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3,4-dimethylbenzenesulfonamide?
The IUPAC name of N,N-diethyl-3,4-dimethylbenzenesulfonamide (CID 883188) is N,N-diethyl-3,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3,4-dimethylbenzenesulfonamide?
The canonical SMILES for N,N-diethyl-3,4-dimethylbenzenesulfonamide is CCN(CC)S(=O)(=O)c1ccc(C)c(C)c1.
What is the InChIKey of N,N-diethyl-3,4-dimethylbenzenesulfonamide?
The InChIKey is KNJLFZBLGQJBRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-5-13(6-2)16(14,15)12-8-7-10(3)11(4)9-12/h7-9H,5-6H2,1-4H3.
What are the key properties of N,N-diethyl-3,4-dimethylbenzenesulfonamide?
N,N-diethyl-3,4-dimethylbenzenesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 883188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).