5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide

C10H14BrClN2O2S — CID 119973900

IUPAC5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-2-13-5-6-14-17(15,16)10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyLUCNPXDYZUASJE-UHFFFAOYSA-N
MW341.66 g/mol
LogP1.99
Rot. Bonds6

About 5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide

5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide (PubChem CID 119973900) has the molecular formula C10H14BrClN2O2S and a molecular weight of 341.66 g/mol. Its IUPAC name is 5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide
PubChem CID119973900
Molecular FormulaC10H14BrClN2O2S
Molecular Weight341.66 g/mol
Exact Mass339.96
IUPAC Name5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1cc(Br)ccc1Cl
InChIInChI=1S/C10H14BrClN2O2S/c1-2-13-5-6-14-17(15,16)10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyLUCNPXDYZUASJE-UHFFFAOYSA-N
XLogP1.99
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.66
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 130158590
5-bromo-2-chloro-N-[2-(2-methoxyethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120717944
5-bromo-2-chloro-N-(2-methoxyethyl)benzenesulfonamide
CID 68631708
N-(3-aminopropyl)-5-bromo-2-chlorobenzenesulfonamide
CID 119962290
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
3-bromo-4-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708859
4-bromo-2,3-dichloro-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708903
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 119973707
4-chloro-N-[2-(ethylamino)ethyl]-2-methylbenzenesulfonamide;hydrochloride
CID 119973952
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide (CID 119973900) is 5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide is CCNCCNS(=O)(=O)c1cc(Br)ccc1Cl.
What is the InChIKey of 5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide?
The InChIKey is LUCNPXDYZUASJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O2S/c1-2-13-5-6-14-17(15,16)10-7-8(11)3-4-9(10)12/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of 5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide?
5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide has a molecular weight of 341.66 g/mol, XLogP of 1.99, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 119973900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).