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

C13H23ClN2O4S — CID 119962102

IUPACN-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCCCN)cc1OCC.Cl
InChIInChI=1S/C13H22N2O4S.ClH/c1-3-18-12-7-6-11(10-13(12)19-4-2)20(16,17)15-9-5-8-14;/h6-7,10,15H,3-5,8-9,14H2,1-2H3;1H
InChIKeySLNRQLMAYBNXEC-UHFFFAOYSA-N
MW338.86 g/mol
LogP1.53
Rot. Bonds9

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

N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride (PubChem CID 119962102) has the molecular formula C13H23ClN2O4S and a molecular weight of 338.86 g/mol. Its IUPAC name is N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
PubChem CID119962102
Molecular FormulaC13H23ClN2O4S
Molecular Weight338.86 g/mol
Exact Mass338.11
IUPAC NameN-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
SMILESCCOc1ccc(S(=O)(=O)NCCCN)cc1OCC.Cl
InChIInChI=1S/C13H22N2O4S.ClH/c1-3-18-12-7-6-11(10-13(12)19-4-2)20(16,17)15-9-5-8-14;/h6-7,10,15H,3-5,8-9,14H2,1-2H3;1H
InChIKeySLNRQLMAYBNXEC-UHFFFAOYSA-N
XLogP1.53
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-butyl-3,4-diethoxybenzenesulfonamide
CID 40747179
3,4-diethoxy-N-(3-ethoxypropyl)benzenesulfonamide
CID 9173625
N-(3-aminobutyl)-3,4-diethoxybenzenesulfonamide;hydrochloride
CID 119972505
3,4-diethoxy-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzenesulfonamide
CID 8843325
3,4-diethoxy-N-(3-hydroxybutyl)benzenesulfonamide
CID 64912288
N-(3-aminopropyl)-4-fluoro-3-methoxybenzenesulfonamide
CID 120706784
4-ethoxy-3-fluoro-N-(3-methoxypropyl)benzenesulfonamide
CID 110758038
methyl 4-(3-aminopropylsulfamoyl)-2-methoxybenzoate;hydrochloride
CID 120706751
N-(1-aminopropan-2-yl)-3,4-diethoxybenzenesulfonamide
CID 63732823
N-(3-aminopropyl)-3-chloro-4-methylbenzenesulfonamide;hydrochloride
CID 119962113
3-chloro-4-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 110758135
4-chloro-3-ethoxy-N-(3-methoxypropyl)benzenesulfonamide
CID 27245832

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride (CID 119962102) is N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride is CCOc1ccc(S(=O)(=O)NCCCN)cc1OCC.Cl.
What is the InChIKey of N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride?
The InChIKey is SLNRQLMAYBNXEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O4S.ClH/c1-3-18-12-7-6-11(10-13(12)19-4-2)20(16,17)15-9-5-8-14;/h6-7,10,15H,3-5,8-9,14H2,1-2H3;1H.
What are the key properties of N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride?
N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride has a molecular weight of 338.86 g/mol, XLogP of 1.53, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-3,4-diethoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119962102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).