5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide

C12H16BrFN2O4S — CID 82916643

IUPAC5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(OCCN2CCOCC2)cc1F
InChIInChI=1S/C12H16BrFN2O4S/c13-9-7-12(21(15,17)18)10(14)8-11(9)20-6-3-16-1-4-19-5-2-16/h7-8H,1-6H2,(H2,15,17,18)
InChIKeyYDZIQMKXTPAEHA-UHFFFAOYSA-N
MW383.24 g/mol
LogP0.95
Rot. Bonds5

About 5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide

5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide (PubChem CID 82916643) has the molecular formula C12H16BrFN2O4S and a molecular weight of 383.24 g/mol. Its IUPAC name is 5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide
PubChem CID82916643
Molecular FormulaC12H16BrFN2O4S
Molecular Weight383.24 g/mol
Exact Mass382.00
IUPAC Name5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(OCCN2CCOCC2)cc1F
InChIInChI=1S/C12H16BrFN2O4S/c13-9-7-12(21(15,17)18)10(14)8-11(9)20-6-3-16-1-4-19-5-2-16/h7-8H,1-6H2,(H2,15,17,18)
InChIKeyYDZIQMKXTPAEHA-UHFFFAOYSA-N
XLogP0.95
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.24
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 82913513
4-bromo-5-(2-morpholin-4-ylethoxy)-2-nitroaniline
CID 168991995
5-bromo-2-fluoro-4-hept-6-enoxybenzenesulfonamide
CID 107007701
3-fluoro-4-(2-morpholin-4-ylethoxy)benzamide
CID 22318780
3-fluoro-4-(2-morpholin-4-ylethoxy)benzoic acid
CID 107689816
4-bromo-3-fluoro-N-(2-morpholin-4-ylethyl)aniline
CID 65437336
4-[2-[2-(2-fluorophenoxy)ethoxy]ethyl]morpholine
CID 27267565
3-fluoro-2-(2-morpholin-4-ylethoxy)aniline
CID 113458214
4-[2-(2-chloro-3-fluoro-5-nitrophenoxy)ethyl]morpholine
CID 118961391
4-[2-(2,3-difluoro-4-methylphenoxy)ethyl]morpholine
CID 123286014
3-fluoro-4-[2-(4-methylpiperazin-1-yl)ethoxy]benzenesulfonamide
CID 82913717
2-(2-bromo-5-fluoro-4-sulfamoylphenoxy)-N-cyclopropyl-N-methylacetamide
CID 82917950

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide (CID 82916643) is 5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Br)c(OCCN2CCOCC2)cc1F.
What is the InChIKey of 5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The InChIKey is YDZIQMKXTPAEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrFN2O4S/c13-9-7-12(21(15,17)18)10(14)8-11(9)20-6-3-16-1-4-19-5-2-16/h7-8H,1-6H2,(H2,15,17,18).
What are the key properties of 5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide?
5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide has a molecular weight of 383.24 g/mol, XLogP of 0.95, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 82916643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).