N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride

C16H20BrClN2O3S — CID 120584229

IUPACN-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(CCN)Cc1ccccc1.Cl
InChIInChI=1S/C16H19BrN2O3S.ClH/c1-22-15-8-7-14(17)11-16(15)23(20,21)19(10-9-18)12-13-5-3-2-4-6-13;/h2-8,11H,9-10,12,18H2,1H3;1H
InChIKeyRSXVGYDXUYAGOW-UHFFFAOYSA-N
MW435.77 g/mol
LogP3.03
Rot. Bonds7

About N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride (PubChem CID 120584229) has the molecular formula C16H20BrClN2O3S and a molecular weight of 435.77 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
PubChem CID120584229
Molecular FormulaC16H20BrClN2O3S
Molecular Weight435.77 g/mol
Exact Mass434.01
IUPAC NameN-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(Br)cc1S(=O)(=O)N(CCN)Cc1ccccc1.Cl
InChIInChI=1S/C16H19BrN2O3S.ClH/c1-22-15-8-7-14(17)11-16(15)23(20,21)19(10-9-18)12-13-5-3-2-4-6-13;/h2-8,11H,9-10,12,18H2,1H3;1H
InChIKeyRSXVGYDXUYAGOW-UHFFFAOYSA-N
XLogP3.03
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.77
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-benzyl-4-methoxy-3-methylbenzenesulfonamide;hydrochloride
CID 120584192
N-(3-aminopropyl)-N-benzyl-2-methoxybenzenesulfonamide
CID 120664143
N,N-dibenzyl-5-chloro-2-methoxybenzenesulfonamide
CID 1339272
5-bromo-2-methoxy-N,N-dipropylbenzenesulfonamide
CID 7749525
N-(3-aminopropyl)-N-benzyl-3-fluoro-4-methoxy-2-methylbenzenesulfonamide;hydrochloride
CID 120713836
5-bromo-N-[2-(diethylamino)ethyl]-N-ethyl-2-methoxybenzenesulfonamide
CID 3751126
2-amino-N-benzyl-4-bromo-N-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 113226086
N-benzyl-5-bromo-2-methoxy-N-quinolin-3-ylbenzenesulfonamide
CID 56684284
N-(3-aminopropyl)-N-benzyl-2-bromobenzenesulfonamide;hydrochloride
CID 120664411
N-benzyl-N-ethyl-2-methoxy-5-(methylaminomethyl)benzenesulfonamide
CID 113241834
N,N-dibenzyl-4-methoxynaphthalene-1-sulfonamide
CID 2899093
2-[benzyl-(5-chloro-2-methoxyphenyl)sulfonylamino]-N-(4-bromo-2,6-dimethylphenyl)acetamide
CID 100799319

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride (CID 120584229) is N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride is COc1ccc(Br)cc1S(=O)(=O)N(CCN)Cc1ccccc1.Cl.
What is the InChIKey of N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is RSXVGYDXUYAGOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3S.ClH/c1-22-15-8-7-14(17)11-16(15)23(20,21)19(10-9-18)12-13-5-3-2-4-6-13;/h2-8,11H,9-10,12,18H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 435.77 g/mol, XLogP of 3.03, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-benzyl-5-bromo-2-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120584229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).