N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride

C9H14BrClN2O3S — CID 120706199

IUPACN-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCCN)c(Br)c1.Cl
InChIInChI=1S/C9H13BrN2O3S.ClH/c1-15-7-2-3-9(8(10)6-7)16(13,14)12-5-4-11;/h2-3,6,12H,4-5,11H2,1H3;1H
InChIKeyYEYNAZYAYWSCDE-UHFFFAOYSA-N
MW345.65 g/mol
LogP1.12
Rot. Bonds5

About N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride

N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride (PubChem CID 120706199) has the molecular formula C9H14BrClN2O3S and a molecular weight of 345.65 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
PubChem CID120706199
Molecular FormulaC9H14BrClN2O3S
Molecular Weight345.65 g/mol
Exact Mass343.96
IUPAC NameN-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
SMILESCOc1ccc(S(=O)(=O)NCCN)c(Br)c1.Cl
InChIInChI=1S/C9H13BrN2O3S.ClH/c1-15-7-2-3-9(8(10)6-7)16(13,14)12-5-4-11;/h2-3,6,12H,4-5,11H2,1H3;1H
InChIKeyYEYNAZYAYWSCDE-UHFFFAOYSA-N
XLogP1.12
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.65
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-aminobutyl)-2-bromo-4-methoxybenzenesulfonamide
CID 120713433
N-(2-aminoethyl)-4-methoxy-2-nitrobenzenesulfonamide;hydrochloride
CID 119960005
N-(2-aminoethyl)-2,5-dibromo-4-methylbenzenesulfonamide;hydrochloride
CID 119960307
N-(2-amino-2-methylpropyl)-2-bromo-5-methoxybenzenesulfonamide;hydrochloride
CID 119988224
(2S)-3-[(2-bromo-4-methoxyphenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 146127658
N-(1-aminohexan-2-yl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride
CID 120712542
N-(2-aminoethyl)-6-bromo-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide;hydrochloride
CID 119960089
5-methoxy-N-[2-[(5-methoxy-2-methylphenyl)sulfonylamino]ethyl]-2-methylbenzenesulfonamide
CID 58807083
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
2-bromo-4-methoxy-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 120710016
N-(2-aminoethyl)-4,5-dimethoxy-2-methylbenzenesulfonamide;hydrochloride
CID 119960117
4-methoxy-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 119972995

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride?
The IUPAC name of N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride (CID 120706199) is N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride.
What is the SMILES notation for N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride?
The canonical SMILES for N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride is COc1ccc(S(=O)(=O)NCCN)c(Br)c1.Cl.
What is the InChIKey of N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride?
The InChIKey is YEYNAZYAYWSCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O3S.ClH/c1-15-7-2-3-9(8(10)6-7)16(13,14)12-5-4-11;/h2-3,6,12H,4-5,11H2,1H3;1H.
What are the key properties of N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride?
N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride has a molecular weight of 345.65 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-bromo-4-methoxybenzenesulfonamide;hydrochloride is sourced from PubChem (CID 120706199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).