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

C11H17BrCl2N2O3S — CID 120717944

IUPAC5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C11H16BrClN2O3S.ClH/c1-18-7-6-14-4-5-15-19(16,17)11-8-9(12)2-3-10(11)13;/h2-3,8,14-15H,4-7H2,1H3;1H
InChIKeyRMZCUDGGEBHHCU-UHFFFAOYSA-N
MW408.15 g/mol
LogP2.04
Rot. Bonds8

About 5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride

5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 120717944) has the molecular formula C11H17BrCl2N2O3S and a molecular weight of 408.15 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID120717944
Molecular FormulaC11H17BrCl2N2O3S
Molecular Weight408.15 g/mol
Exact Mass405.95
IUPAC Name5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCOCCNCCNS(=O)(=O)c1cc(Br)ccc1Cl.Cl
InChIInChI=1S/C11H16BrClN2O3S.ClH/c1-18-7-6-14-4-5-15-19(16,17)11-8-9(12)2-3-10(11)13;/h2-3,8,14-15H,4-7H2,1H3;1H
InChIKeyRMZCUDGGEBHHCU-UHFFFAOYSA-N
XLogP2.04
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.15
LogP ≤ 52.04
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

5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 119973900
2-chloro-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide
CID 83039829
2,3-dichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717314
2-chloro-4-fluoro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717723
2-bromo-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717320
2-bromo-N-[2-(2-methoxyethylamino)ethyl]-4-methylbenzenesulfonamide;hydrochloride
CID 120717896
5-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 130158590
4-bromo-2-chloro-N-(4-methoxybutyl)benzenesulfonamide
CID 61073372
4-chloro-2-methoxy-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039819
2,4,6-trichloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide
CID 83039704
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 120717944) is 5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is COCCNCCNS(=O)(=O)c1cc(Br)ccc1Cl.Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is RMZCUDGGEBHHCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2O3S.ClH/c1-18-7-6-14-4-5-15-19(16,17)11-8-9(12)2-3-10(11)13;/h2-3,8,14-15H,4-7H2,1H3;1H.
What are the key properties of 5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride?
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 408.15 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 120717944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).