N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride

C13H23ClN2O3S — CID 119972659

IUPACN-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
SMILESCOCCc1ccc(S(=O)(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C13H22N2O3S.ClH/c1-11(14)7-9-15-19(16,17)13-5-3-12(4-6-13)8-10-18-2;/h3-6,11,15H,7-10,14H2,1-2H3;1H
InChIKeyOYGFWOSRRBCGBW-UHFFFAOYSA-N
MW322.86 g/mol
LogP1.31
Rot. Bonds8

About N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride

N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride (PubChem CID 119972659) has the molecular formula C13H23ClN2O3S and a molecular weight of 322.86 g/mol. Its IUPAC name is N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
PubChem CID119972659
Molecular FormulaC13H23ClN2O3S
Molecular Weight322.86 g/mol
Exact Mass322.11
IUPAC NameN-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride
SMILESCOCCc1ccc(S(=O)(=O)NCCC(C)N)cc1.Cl
InChIInChI=1S/C13H22N2O3S.ClH/c1-11(14)7-9-15-19(16,17)13-5-3-12(4-6-13)8-10-18-2;/h3-6,11,15H,7-10,14H2,1-2H3;1H
InChIKeyOYGFWOSRRBCGBW-UHFFFAOYSA-N
XLogP1.31
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.86
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
N-(3-aminobutyl)-4-(4-methoxyphenoxy)benzenesulfonamide
CID 119972545
N-(3-aminobutyl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119972673
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
N-(3-aminobutyl)-4-(3-methylbutoxy)benzenesulfonamide
CID 119972668
N-(2-amino-2-cyclopropylethyl)-4-(2-methoxyethyl)benzenesulfonamide
CID 120582635
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
N-[(3R)-3-aminobutyl]-4-(dimethylamino)benzenesulfonamide
CID 139492880
3-amino-N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]butanamide;hydrochloride
CID 119736086
N-[2-(2-methoxyethylamino)ethyl]-4-(2-methylpropyl)benzenesulfonamide;hydrochloride
CID 120717422
4-(3-aminobutylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
CID 120708563
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride (CID 119972659) is N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride is COCCc1ccc(S(=O)(=O)NCCC(C)N)cc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
The InChIKey is OYGFWOSRRBCGBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O3S.ClH/c1-11(14)7-9-15-19(16,17)13-5-3-12(4-6-13)8-10-18-2;/h3-6,11,15H,7-10,14H2,1-2H3;1H.
What are the key properties of N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride?
N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride has a molecular weight of 322.86 g/mol, XLogP of 1.31, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-4-(2-methoxyethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119972659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).