N-butyl-N-ethylbenzenesulfonamide

C12H19NO2S — CID 2164635

IUPACN-butyl-N-ethylbenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-3-5-11-13(4-2)16(14,15)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3
InChIKeyGIRKPTKJCDEFLW-UHFFFAOYSA-N
MW241.36 g/mol
LogP2.50
Rot. Bonds6

About N-butyl-N-ethylbenzenesulfonamide

N-butyl-N-ethylbenzenesulfonamide (PubChem CID 2164635) has the molecular formula C12H19NO2S and a molecular weight of 241.36 g/mol. Its IUPAC name is N-butyl-N-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-butyl-N-ethylbenzenesulfonamide
PubChem CID2164635
Molecular FormulaC12H19NO2S
Molecular Weight241.36 g/mol
Exact Mass241.11
IUPAC NameN-butyl-N-ethylbenzenesulfonamide
SMILESCCCCN(CC)S(=O)(=O)c1ccccc1
InChIInChI=1S/C12H19NO2S/c1-3-5-11-13(4-2)16(14,15)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3
InChIKeyGIRKPTKJCDEFLW-UHFFFAOYSA-N
XLogP2.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.36
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-butyl-N-ethylbenzenesulfonamide?
The IUPAC name of N-butyl-N-ethylbenzenesulfonamide (CID 2164635) is N-butyl-N-ethylbenzenesulfonamide.
What is the SMILES notation for N-butyl-N-ethylbenzenesulfonamide?
The canonical SMILES for N-butyl-N-ethylbenzenesulfonamide is CCCCN(CC)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-butyl-N-ethylbenzenesulfonamide?
The InChIKey is GIRKPTKJCDEFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2S/c1-3-5-11-13(4-2)16(14,15)12-9-7-6-8-10-12/h6-10H,3-5,11H2,1-2H3.
What are the key properties of N-butyl-N-ethylbenzenesulfonamide?
N-butyl-N-ethylbenzenesulfonamide has a molecular weight of 241.36 g/mol, XLogP of 2.50, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-N-ethylbenzenesulfonamide is sourced from PubChem (CID 2164635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).