3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride

C15H27ClN2O2S — CID 120716186

IUPAC3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccc(CC)c(CC)c1.Cl
InChIInChI=1S/C15H26N2O2S.ClH/c1-4-9-16-10-11-17-20(18,19)15-8-7-13(5-2)14(6-3)12-15;/h7-8,12,16-17H,4-6,9-11H2,1-3H3;1H
InChIKeyREXIAAIXIKLYCV-UHFFFAOYSA-N
MW334.91 g/mol
LogP2.51
Rot. Bonds9

About 3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride

3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120716186) has the molecular formula C15H27ClN2O2S and a molecular weight of 334.91 g/mol. Its IUPAC name is 3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120716186
Molecular FormulaC15H27ClN2O2S
Molecular Weight334.91 g/mol
Exact Mass334.15
IUPAC Name3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccc(CC)c(CC)c1.Cl
InChIInChI=1S/C15H26N2O2S.ClH/c1-4-9-16-10-11-17-20(18,19)15-8-7-13(5-2)14(6-3)12-15;/h7-8,12,16-17H,4-6,9-11H2,1-3H3;1H
InChIKeyREXIAAIXIKLYCV-UHFFFAOYSA-N
XLogP2.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.91
LogP ≤ 52.51
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

3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715836
4-fluoro-3-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715824
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
3-fluoro-4-methylsulfonyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716059
N-(2,2-difluoroethyl)-4-ethyl-3-(propylaminomethyl)benzenesulfonamide
CID 115409256
4-(methylsulfonylmethyl)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715832
3-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120715837
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716201
2-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716001
methyl 2-methoxy-4-[2-(propylamino)ethylsulfamoyl]benzoate
CID 120716202

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120716186) is 3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1ccc(CC)c(CC)c1.Cl.
What is the InChIKey of 3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is REXIAAIXIKLYCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O2S.ClH/c1-4-9-16-10-11-17-20(18,19)15-8-7-13(5-2)14(6-3)12-15;/h7-8,12,16-17H,4-6,9-11H2,1-3H3;1H.
What are the key properties of 3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 334.91 g/mol, XLogP of 2.51, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120716186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).