N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride

C14H25ClN2O4S — CID 119972505

IUPACN-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCCC(C)N)cc1OCC.Cl
InChIInChI=1S/C14H24N2O4S.ClH/c1-4-19-13-7-6-12(10-14(13)20-5-2)21(17,18)16-9-8-11(3)15;/h6-7,10-11,16H,4-5,8-9,15H2,1-3H3;1H
InChIKeyQGGFKIQDZXCOLO-UHFFFAOYSA-N
MW352.88 g/mol
LogP1.92
Rot. Bonds9

About N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride

N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride (PubChem CID 119972505) has the molecular formula C14H25ClN2O4S and a molecular weight of 352.88 g/mol. Its IUPAC name is N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
PubChem CID119972505
Molecular FormulaC14H25ClN2O4S
Molecular Weight352.88 g/mol
Exact Mass352.12
IUPAC NameN-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCCC(C)N)cc1OCC.Cl
InChIInChI=1S/C14H24N2O4S.ClH/c1-4-19-13-7-6-12(10-14(13)20-5-2)21(17,18)16-9-8-11(3)15;/h6-7,10-11,16H,4-5,8-9,15H2,1-3H3;1H
InChIKeyQGGFKIQDZXCOLO-UHFFFAOYSA-N
XLogP1.92
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.88
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288
N-(3-aminobutyl)-3,4-dimethoxybenzenesulfonamide;hydrochloride
CID 119972364
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119962102
N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide
CID 63732823
N-(3-aminobutyl)-4-propylbenzenesulfonamide;hydrochloride
CID 119972319
ethyl 4-(3-aminobutylsulfamoyl)benzoate;hydrochloride
CID 119972640
N-[2-(2,6-dimethylmorpholin-4-yl)ethyl]-3,4-diethoxybenzenesulfonamide
CID 55521871
N-(3-aminobutyl)-3-bromo-4-fluorobenzenesulfonamide
CID 119972812
N-(3-aminobutyl)-3-(methoxymethyl)benzenesulfonamide;hydrochloride
CID 119972673
3,4-diethoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8843325

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride (CID 119972505) is N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride is CCOc1ccc(S(=O)(=O)NCCC(C)N)cc1OCC.Cl.
What is the InChIKey of N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride?
The InChIKey is QGGFKIQDZXCOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O4S.ClH/c1-4-19-13-7-6-12(10-14(13)20-5-2)21(17,18)16-9-8-11(3)15;/h6-7,10-11,16H,4-5,8-9,15H2,1-3H3;1H.
What are the key properties of N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride?
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride has a molecular weight of 352.88 g/mol, XLogP of 1.92, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119972505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).