2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide

C10H14BrFN2O2S — CID 119973707

IUPAC2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H14BrFN2O2S/c1-2-13-5-6-14-17(15,16)10-7-8(12)3-4-9(10)11/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyQFQVYDHJYSOWAK-UHFFFAOYSA-N
MW325.20 g/mol
LogP1.48
Rot. Bonds6

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

2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide (PubChem CID 119973707) has the molecular formula C10H14BrFN2O2S and a molecular weight of 325.20 g/mol. Its IUPAC name is 2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide
PubChem CID119973707
Molecular FormulaC10H14BrFN2O2S
Molecular Weight325.20 g/mol
Exact Mass323.99
IUPAC Name2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide
SMILESCCNCCNS(=O)(=O)c1cc(F)ccc1Br
InChIInChI=1S/C10H14BrFN2O2S/c1-2-13-5-6-14-17(15,16)10-7-8(12)3-4-9(10)11/h3-4,7,13-14H,2,5-6H2,1H3
InChIKeyQFQVYDHJYSOWAK-UHFFFAOYSA-N
XLogP1.48
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.20
LogP ≤ 51.48
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

2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973114
2-bromo-N-[2-(ethylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973933
2,5-dibromo-N-[3-(ethylamino)propyl]benzenesulfonamide
CID 43606581
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
4-fluoro-2-methyl-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 62663350
5-bromo-2-chloro-N-[2-(ethylamino)ethyl]benzenesulfonamide
CID 119973900
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
2-bromo-5-(dimethylamino)-N-[2-(propylamino)ethyl]benzenesulfonamide
CID 120716100
2-(ethylaminomethyl)-N-[2-[ethyl(methyl)amino]ethyl]-5-fluorobenzenesulfonamide
CID 106055804
2-bromo-5-(ethylaminomethyl)-N-pentylbenzenesulfonamide
CID 106058095
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide (CID 119973707) is 2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide is CCNCCNS(=O)(=O)c1cc(F)ccc1Br.
What is the InChIKey of 2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide?
The InChIKey is QFQVYDHJYSOWAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrFN2O2S/c1-2-13-5-6-14-17(15,16)10-7-8(12)3-4-9(10)11/h3-4,7,13-14H,2,5-6H2,1H3.
What are the key properties of 2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide?
2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide has a molecular weight of 325.20 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 119973707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).