2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

C12H16BrFN2O3S — CID 60822981

IUPAC2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(F)cc1Br
InChIInChI=1S/C12H16BrFN2O3S/c13-11-9-10(14)1-2-12(11)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8H2
InChIKeyJNGUFTUFJHXGDO-UHFFFAOYSA-N
MW367.24 g/mol
LogP1.20
Rot. Bonds5

About 2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide

2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (PubChem CID 60822981) has the molecular formula C12H16BrFN2O3S and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
PubChem CID60822981
Molecular FormulaC12H16BrFN2O3S
Molecular Weight367.24 g/mol
Exact Mass366.00
IUPAC Name2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
SMILESO=S(=O)(NCCN1CCOCC1)c1ccc(F)cc1Br
InChIInChI=1S/C12H16BrFN2O3S/c13-11-9-10(14)1-2-12(11)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8H2
InChIKeyJNGUFTUFJHXGDO-UHFFFAOYSA-N
XLogP1.20
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 60986198
5-fluoro-2-methoxy-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 6487446
4-amino-2-bromo-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 43256797
2-bromo-4-fluoro-N-(3-piperazin-1-ylpropyl)benzenesulfonamide
CID 60824052
2-bromo-4-fluoro-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 60530910
4-bromo-N-(2-morpholin-4-ylethyl)naphthalene-1-sulfonamide
CID 16644689
3-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide
CID 84551613
3-fluoro-4-(2-morpholin-4-ylethylsulfamoyl)benzoic acid
CID 154741645
2,4-dibromo-N-(2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 61059343
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027
2-bromo-4,5-dimethyl-N-(3-morpholin-4-ylpropyl)benzenesulfonamide
CID 3138209

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide (CID 60822981) is 2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is O=S(=O)(NCCN1CCOCC1)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
The InChIKey is JNGUFTUFJHXGDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O3S/c13-11-9-10(14)1-2-12(11)20(17,18)15-3-4-16-5-7-19-8-6-16/h1-2,9,15H,3-8H2.
What are the key properties of 2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide?
2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide has a molecular weight of 367.24 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-fluoro-N-(2-morpholin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 60822981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).