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

C12H21ClN2O2S — CID 120716521

IUPAC2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccccc1C.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-3-8-13-9-10-14-17(15,16)12-7-5-4-6-11(12)2;/h4-7,13-14H,3,8-10H2,1-2H3;1H
InChIKeyOOCLXYKWSJIHRG-UHFFFAOYSA-N
MW292.83 g/mol
LogP1.69
Rot. Bonds7

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

2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120716521) has the molecular formula C12H21ClN2O2S and a molecular weight of 292.83 g/mol. Its IUPAC name is 2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120716521
Molecular FormulaC12H21ClN2O2S
Molecular Weight292.83 g/mol
Exact Mass292.10
IUPAC Name2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCCCNCCNS(=O)(=O)c1ccccc1C.Cl
InChIInChI=1S/C12H20N2O2S.ClH/c1-3-8-13-9-10-14-17(15,16)12-7-5-4-6-11(12)2;/h4-7,13-14H,3,8-10H2,1-2H3;1H
InChIKeyOOCLXYKWSJIHRG-UHFFFAOYSA-N
XLogP1.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.83
LogP ≤ 51.69
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-ethyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716001
3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716139
N-(2-ethylsulfonylethyl)-2-methylbenzenesulfonamide
CID 103721105
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
ethyl 4-methyl-3-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716016
2,3-dimethyl-N-propylbenzenesulfonamide
CID 67800223
2-[(2-methylphenyl)sulfonylamino]ethylurea
CID 83118355
2-bromo-N-[2-(ethylamino)ethyl]-3-methylbenzenesulfonamide;hydrochloride
CID 119973473
methyl 3-methyl-4-[2-(propylamino)ethylsulfamoyl]benzoate;hydrochloride
CID 120716326
2-methyl-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 115671966
N-(3-iodopropyl)-2-methylbenzenesulfonamide
CID 114504608
2-chloro-4-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120715884

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120716521) is 2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is CCCNCCNS(=O)(=O)c1ccccc1C.Cl.
What is the InChIKey of 2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is OOCLXYKWSJIHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2S.ClH/c1-3-8-13-9-10-14-17(15,16)12-7-5-4-6-11(12)2;/h4-7,13-14H,3,8-10H2,1-2H3;1H.
What are the key properties of 2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride?
2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 292.83 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120716521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).