N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride

C11H19ClN2O4S — CID 119960117

IUPACN-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NCCN)cc1OC.Cl
InChIInChI=1S/C11H18N2O4S.ClH/c1-8-6-9(16-2)10(17-3)7-11(8)18(14,15)13-5-4-12;/h6-7,13H,4-5,12H2,1-3H3;1H
InChIKeyOGXLPCINQDFXHK-UHFFFAOYSA-N
MW310.80 g/mol
LogP0.67
Rot. Bonds6

About N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride (PubChem CID 119960117) has the molecular formula C11H19ClN2O4S and a molecular weight of 310.80 g/mol. Its IUPAC name is N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
PubChem CID119960117
Molecular FormulaC11H19ClN2O4S
Molecular Weight310.80 g/mol
Exact Mass310.08
IUPAC NameN-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
SMILESCOc1cc(C)c(S(=O)(=O)NCCN)cc1OC.Cl
InChIInChI=1S/C11H18N2O4S.ClH/c1-8-6-9(16-2)10(17-3)7-11(8)18(14,15)13-5-4-12;/h6-7,13H,4-5,12H2,1-3H3;1H
InChIKeyOGXLPCINQDFXHK-UHFFFAOYSA-N
XLogP0.67
TPSA90.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.80
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-aminopropyl)-4-methoxy-2,5-dimethylbenzenesulfonamide
CID 28754094
N-butyl-4,5-dimethoxy-2-methylbenzenesulfonamide
CID 35291236
4,5-dimethoxy-2-methyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43605995
4,5-dimethoxy-N-[2-(2-methoxyethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 120717418
N-[2-[(4,5-dimethoxy-2-methylphenyl)sulfonylamino]ethyl]acetamide
CID 35304540
4,5-dimethoxy-2-methyl-N-(2-phenylethyl)benzenesulfonamide
CID 110758856
4-methoxy-N-(2-methoxyethyl)-2,5-dimethylbenzenesulfonamide
CID 15943934
N-(4-aminobutyl)-5-bromo-2-methoxy-4-methylbenzenesulfonamide;hydrochloride
CID 120583356
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307
4,5-dimethoxy-2-methyl-N-[2-methyl-3-(methylamino)propyl]benzenesulfonamide
CID 115302766
4-methoxy-2,5-dimethyl-N-[3-(methylamino)propyl]benzenesulfonamide
CID 119964849
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]-2,5-dimethylbenzenesulfonamide;hydrochloride
CID 120717823

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride (CID 119960117) is N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride is COc1cc(C)c(S(=O)(=O)NCCN)cc1OC.Cl.
What is the InChIKey of N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride?
The InChIKey is OGXLPCINQDFXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S.ClH/c1-8-6-9(16-2)10(17-3)7-11(8)18(14,15)13-5-4-12;/h6-7,13H,4-5,12H2,1-3H3;1H.
What are the key properties of N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride has a molecular weight of 310.80 g/mol, XLogP of 0.67, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride is sourced from PubChem (CID 119960117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).