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

C14H25ClN2O2S — CID 120716159

IUPAC4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccc(CCC)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-3-5-13-6-8-14(9-7-13)19(17,18)16-12-11-15-10-4-2;/h6-9,15-16H,3-5,10-12H2,1-2H3;1H
InChIKeyTXVNOLSAPYVHEY-UHFFFAOYSA-N
MW320.89 g/mol
LogP2.34
Rot. Bonds9

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

4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120716159) has the molecular formula C14H25ClN2O2S and a molecular weight of 320.89 g/mol. Its IUPAC name is 4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120716159
Molecular FormulaC14H25ClN2O2S
Molecular Weight320.89 g/mol
Exact Mass320.13
IUPAC Name4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccc(CCC)cc1.Cl
InChIInChI=1S/C14H24N2O2S.ClH/c1-3-5-13-6-8-14(9-7-13)19(17,18)16-12-11-15-10-4-2;/h6-9,15-16H,3-5,10-12H2,1-2H3;1H
InChIKeyTXVNOLSAPYVHEY-UHFFFAOYSA-N
XLogP2.34
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.89
LogP ≤ 52.34
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

4-(methylsulfonylmethyl)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715832
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
CID 104594124
4-iodo-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663692
N-(2-methylsulfanylethyl)-4-[2-(propylamino)ethyl]benzenesulfonamide
CID 106063705
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
3,4-diethyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716186
N-(4-azidobutyl)-4-propylbenzenesulfonamide
CID 114182224
4-(2-methylpropoxy)-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715981
N-iodo-4-propylbenzenesulfonamide
CID 143564822
3,4-difluoro-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663879
N-[2-(2-bromoethoxy)ethyl]-4-propylbenzenesulfonamide
CID 113271420

Frequently Asked Questions

What is the IUPAC name of 4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120716159) is 4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1ccc(CCC)cc1.Cl.
What is the InChIKey of 4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is TXVNOLSAPYVHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2S.ClH/c1-3-5-13-6-8-14(9-7-13)19(17,18)16-12-11-15-10-4-2;/h6-9,15-16H,3-5,10-12H2,1-2H3;1H.
What are the key properties of 4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 320.89 g/mol, XLogP of 2.34, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120716159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).