2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide

C13H22N2O2S — CID 120716001

IUPAC2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccccc1CC
InChIInChI=1S/C13H22N2O2S/c1-3-9-14-10-11-15-18(16,17)13-8-6-5-7-12(13)4-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyDEWZBYHOYKFPID-UHFFFAOYSA-N
MW270.40 g/mol
LogP1.53
Rot. Bonds8

About 2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide

2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide (PubChem CID 120716001) has the molecular formula C13H22N2O2S and a molecular weight of 270.40 g/mol. Its IUPAC name is 2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
PubChem CID120716001
Molecular FormulaC13H22N2O2S
Molecular Weight270.40 g/mol
Exact Mass270.14
IUPAC Name2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
SMILESCCCNCCNS(=O)(=O)c1ccccc1CC
InChIInChI=1S/C13H22N2O2S/c1-3-9-14-10-11-15-18(16,17)13-8-6-5-7-12(13)4-2/h5-8,14-15H,3-4,9-11H2,1-2H3
InChIKeyDEWZBYHOYKFPID-UHFFFAOYSA-N
XLogP1.53
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716521
3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716139
N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490
3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716186
3-chloro-2-cyano-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716507
1-phenyl-N-[2-(propylamino)ethyl]methanesulfonamide
CID 55100444
2-methoxy-N-propylbenzenesulfonamide
CID 23128752
2-ethyl-N-(4-hydroxybut-2-ynyl)benzenesulfonamide
CID 127266845
N-(2-amino-2-ethylbutyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711865
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
2-(ethylaminomethyl)-N-(3-propoxypropyl)benzenesulfonamide
CID 106074176

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide (CID 120716001) is 2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide is CCCNCCNS(=O)(=O)c1ccccc1CC.
What is the InChIKey of 2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
The InChIKey is DEWZBYHOYKFPID-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S/c1-3-9-14-10-11-15-18(16,17)13-8-6-5-7-12(13)4-2/h5-8,14-15H,3-4,9-11H2,1-2H3.
What are the key properties of 2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide?
2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide has a molecular weight of 270.40 g/mol, XLogP of 1.53, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 120716001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).