N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride

C13H23ClN2O2S — CID 119972319

IUPACN-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-3-4-12-5-7-13(8-6-12)18(16,17)15-10-9-11(2)14;/h5-8,11,15H,3-4,9-10,14H2,1-2H3;1H
InChIKeyUWVTYMKBLFUCHT-UHFFFAOYSA-N
MW306.86 g/mol
LogP2.08
Rot. Bonds7

About N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride

N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride (PubChem CID 119972319) has the molecular formula C13H23ClN2O2S and a molecular weight of 306.86 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
PubChem CID119972319
Molecular FormulaC13H23ClN2O2S
Molecular Weight306.86 g/mol
Exact Mass306.12
IUPAC NameN-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
SMILESCCCc1ccc(S(=O)(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C13H22N2O2S.ClH/c1-3-4-12-5-7-13(8-6-12)18(16,17)15-10-9-11(2)14;/h5-8,11,15H,3-4,9-10,14H2,1-2H3;1H
InChIKeyUWVTYMKBLFUCHT-UHFFFAOYSA-N
XLogP2.08
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.86
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
CID 119972659
N-(3-aminopropyl)-4-propylbenzenesulfonamide
CID 43605819
4-propyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716159
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880
N-(3-cyclopropyl-3-hydroxypropyl)-4-propylbenzenesulfonamide
CID 71787498
N-[2-(2-hydroxypropylamino)ethyl]-4-propylbenzenesulfonamide
CID 104594124
N-(3-aminobutyl)-4-(butylsulfonylamino)benzenesulfonamide
CID 119972480
N-(2-hydroxypropyl)-4-propylbenzenesulfonamide
CID 3391675
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120708563
N-(3-hydroxy-3-naphthalen-1-ylpropyl)-4-propylbenzenesulfonamide
CID 90524520

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride (CID 119972319) is N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride is CCCc1ccc(S(=O)(=O)NCCC(C)N)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride?
The InChIKey is UWVTYMKBLFUCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S.ClH/c1-3-4-12-5-7-13(8-6-12)18(16,17)15-10-9-11(2)14;/h5-8,11,15H,3-4,9-10,14H2,1-2H3;1H.
What are the key properties of N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride?
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride has a molecular weight of 306.86 g/mol, XLogP of 2.08, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119972319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).