5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide

C12H16BrClN2O4S — CID 82913513

IUPAC5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1OCCN1CCOCC1
InChIInChI=1S/C12H16BrClN2O4S/c13-9-7-10(14)12(11(8-9)21(15,17)18)20-6-3-16-1-4-19-5-2-16/h7-8H,1-6H2,(H2,15,17,18)
InChIKeyNRAMANOKJPGVTR-UHFFFAOYSA-N
MW399.69 g/mol
LogP1.46
Rot. Bonds5

About 5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide

5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide (PubChem CID 82913513) has the molecular formula C12H16BrClN2O4S and a molecular weight of 399.69 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
PubChem CID82913513
Molecular FormulaC12H16BrClN2O4S
Molecular Weight399.69 g/mol
Exact Mass397.97
IUPAC Name5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1OCCN1CCOCC1
InChIInChI=1S/C12H16BrClN2O4S/c13-9-7-10(14)12(11(8-9)21(15,17)18)20-6-3-16-1-4-19-5-2-16/h7-8H,1-6H2,(H2,15,17,18)
InChIKeyNRAMANOKJPGVTR-UHFFFAOYSA-N
XLogP1.46
TPSA81.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.69
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 43342363
5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide
CID 80694291
5-bromo-3-chloro-2-pentoxybenzenesulfonamide
CID 43164418
5-bromo-2-fluoro-4-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 82916643
5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726837
4-[2-(2-chloro-4,6-dimethylphenoxy)ethyl]morpholine
CID 869403
4-[2-[2-(2-bromo-6-chloro-4-methylphenoxy)ethoxy]ethyl]morpholine;oxalic acid
CID 2924016
4-[4-(2-bromo-6-chloro-4-methylphenoxy)butyl]morpholine
CID 2299958
5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43164412
4-[2-(2-bromo-4-chloro-6-methylphenoxy)ethyl]morpholine
CID 2995112
4-[2-(4-chloro-2,6-dimethylphenoxy)ethyl]morpholine
CID 872206
4-[4-[2-(2,6-dichlorophenoxy)ethyl]piperazin-1-yl]sulfonylmorpholine
CID 36931838

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide (CID 82913513) is 5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(Cl)c1OCCN1CCOCC1.
What is the InChIKey of 5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide?
The InChIKey is NRAMANOKJPGVTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O4S/c13-9-7-10(14)12(11(8-9)21(15,17)18)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-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide?
5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide has a molecular weight of 399.69 g/mol, XLogP of 1.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide is sourced from PubChem (CID 82913513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).