2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride

C9H13BrClFN2O2S — CID 119973114

IUPAC2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1cc(F)ccc1Br.Cl
InChIInChI=1S/C9H12BrFN2O2S.ClH/c1-12-4-5-13-16(14,15)9-6-7(11)2-3-8(9)10;/h2-3,6,12-13H,4-5H2,1H3;1H
InChIKeyBEZXYMUMKYIORN-UHFFFAOYSA-N
MW347.64 g/mol
LogP1.51
Rot. Bonds5

About 2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride

2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 119973114) has the molecular formula C9H13BrClFN2O2S and a molecular weight of 347.64 g/mol. Its IUPAC name is 2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID119973114
Molecular FormulaC9H13BrClFN2O2S
Molecular Weight347.64 g/mol
Exact Mass345.96
IUPAC Name2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCNCCNS(=O)(=O)c1cc(F)ccc1Br.Cl
InChIInChI=1S/C9H12BrFN2O2S.ClH/c1-12-4-5-13-16(14,15)9-6-7(11)2-3-8(9)10;/h2-3,6,12-13H,4-5H2,1H3;1H
InChIKeyBEZXYMUMKYIORN-UHFFFAOYSA-N
XLogP1.51
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.64
LogP ≤ 51.51
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-N-[2-(ethylamino)ethyl]-5-fluorobenzenesulfonamide
CID 119973707
2-bromo-N-[2-(methylamino)ethyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120708659
2-chloro-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 115752308
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
methyl 4-fluoro-2-[2-(methylamino)ethylsulfamoyl]benzoate
CID 119973384
5-fluoro-2-(2-methoxyethoxy)-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 120708720
2,5-dibromo-N-[2-[(2,5-dibromophenyl)sulfonylamino]ethyl]benzenesulfonamide
CID 100820102
4-bromo-2,3-dichloro-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 120708767
2,4-difluoro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43602835
5-bromo-2-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62658357
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
methyl 4-fluoro-2-[3-(methylamino)propylsulfamoyl]benzoate;hydrochloride
CID 119965118

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride (CID 119973114) is 2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride is CNCCNS(=O)(=O)c1cc(F)ccc1Br.Cl.
What is the InChIKey of 2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is BEZXYMUMKYIORN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrFN2O2S.ClH/c1-12-4-5-13-16(14,15)9-6-7(11)2-3-8(9)10;/h2-3,6,12-13H,4-5H2,1H3;1H.
What are the key properties of 2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride?
2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 347.64 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 119973114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).