2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride

C11H18BrClN2O3S — CID 120717320

IUPAC2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccccc1Br.Cl
InChIInChI=1S/C11H17BrN2O3S.ClH/c1-17-9-8-13-6-7-14-18(15,16)11-5-3-2-4-10(11)12;/h2-5,13-14H,6-9H2,1H3;1H
InChIKeyZPTBEHVAVITXSO-UHFFFAOYSA-N
MW373.70 g/mol
LogP1.39
Rot. Bonds8

About 2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride

2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120717320) has the molecular formula C11H18BrClN2O3S and a molecular weight of 373.70 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120717320
Molecular FormulaC11H18BrClN2O3S
Molecular Weight373.70 g/mol
Exact Mass371.99
IUPAC Name2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1ccccc1Br.Cl
InChIInChI=1S/C11H17BrN2O3S.ClH/c1-17-9-8-13-6-7-14-18(15,16)11-5-3-2-4-10(11)12;/h2-5,13-14H,6-9H2,1H3;1H
InChIKeyZPTBEHVAVITXSO-UHFFFAOYSA-N
XLogP1.39
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.70
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120717896
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
N-[2-(2-methoxyethylamino)ethyl]-2-methylsulfanylbenzenesulfonamide;hydrochloride
CID 120717757
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
2-bromo-N-[3-(2-methoxyethoxy)propyl]benzenesulfonamide
CID 47121896
2-bromo-N-[4-(2-methoxyethoxy)butyl]benzenesulfonamide
CID 115600011
2-bromo-N-(3-bromo-4-methoxybutyl)benzenesulfonamide
CID 106245635
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717944
3-fluoro-N-[2-(2-methoxyethylamino)ethyl]-2-nitrobenzenesulfonamide;hydrochloride
CID 120717735
N-[2-(2-methoxyethylamino)ethyl]thiophene-2-sulfonamide;hydrochloride
CID 120717968
3-bromo-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120716139
4-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717595

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120717320) is 2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1ccccc1Br.Cl.
What is the InChIKey of 2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is ZPTBEHVAVITXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O3S.ClH/c1-17-9-8-13-6-7-14-18(15,16)11-5-3-2-4-10(11)12;/h2-5,13-14H,6-9H2,1H3;1H.
What are the key properties of 2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 373.70 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).