4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride

C15H27ClN2O3S — CID 120715981

IUPAC4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccc(OCC(C)C)cc1.Cl
InChIInChI=1S/C15H26N2O3S.ClH/c1-4-9-16-10-11-17-21(18,19)15-7-5-14(6-8-15)20-12-13(2)3;/h5-8,13,16-17H,4,9-12H2,1-3H3;1H
InChIKeyOKGFIPLGBIECOJ-UHFFFAOYSA-N
MW350.91 g/mol
LogP2.42
Rot. Bonds10

About 4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride

4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120715981) has the molecular formula C15H27ClN2O3S and a molecular weight of 350.91 g/mol. Its IUPAC name is 4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120715981
Molecular FormulaC15H27ClN2O3S
Molecular Weight350.91 g/mol
Exact Mass350.14
IUPAC Name4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccc(OCC(C)C)cc1.Cl
InChIInChI=1S/C15H26N2O3S.ClH/c1-4-9-16-10-11-17-21(18,19)15-7-5-14(6-8-15)20-12-13(2)3;/h5-8,13,16-17H,4,9-12H2,1-3H3;1H
InChIKeyOKGFIPLGBIECOJ-UHFFFAOYSA-N
XLogP2.42
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.91
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(ethylamino)ethyl]-4-(2-methylpropoxy)benzenesulfonamide
CID 62663335
N-(3-hydroxybutyl)-4-(2-methylpropoxy)benzenesulfonamide
CID 64913130
N-[2-(ethylamino)ethyl]-4-propoxybenzenesulfonamide
CID 55100491
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
N-benzyl-4-(2-methylpropoxy)benzenesulfonamide
CID 826388
N-propan-2-yl-4-[2-(propylamino)ethoxy]benzenesulfonamide
CID 62349082
ethyl 2-[[4-(2-methylpropoxy)phenyl]sulfonylamino]acetate
CID 60817579
4-(methylsulfonylmethyl)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715832
1-(2-methylpropoxy)-4-[4-(2-methylpropoxy)phenyl]sulfonylbenzene
CID 22131571
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
CID 57257139
CID 57257139

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120715981) is 4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1ccc(OCC(C)C)cc1.Cl.
What is the InChIKey of 4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is OKGFIPLGBIECOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O3S.ClH/c1-4-9-16-10-11-17-21(18,19)15-7-5-14(6-8-15)20-12-13(2)3;/h5-8,13,16-17H,4,9-12H2,1-3H3;1H.
What are the key properties of 4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 350.91 g/mol, XLogP of 2.42, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120715981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).