5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide

C8H8BrClFNO3S — CID 80694291

IUPAC5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1OCCF
InChIInChI=1S/C8H8BrClFNO3S/c9-5-3-6(10)8(15-2-1-11)7(4-5)16(12,13)14/h3-4H,1-2H2,(H2,12,13,14)
InChIKeyJVOKMRLHAFIQBO-UHFFFAOYSA-N
MW332.58 g/mol
LogP2.10
Rot. Bonds4

About 5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide

5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide (PubChem CID 80694291) has the molecular formula C8H8BrClFNO3S and a molecular weight of 332.58 g/mol. Its IUPAC name is 5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide
PubChem CID80694291
Molecular FormulaC8H8BrClFNO3S
Molecular Weight332.58 g/mol
Exact Mass330.91
IUPAC Name5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)cc(Cl)c1OCCF
InChIInChI=1S/C8H8BrClFNO3S/c9-5-3-6(10)8(15-2-1-11)7(4-5)16(12,13)14/h3-4H,1-2H2,(H2,12,13,14)
InChIKeyJVOKMRLHAFIQBO-UHFFFAOYSA-N
XLogP2.10
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.58
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-3-chloro-2-pentoxybenzenesulfonamide
CID 43164418
5-bromo-3-chloro-2-(3,3-dimethylbutoxy)benzenesulfonamide
CID 61481199
5-bromo-3-chloro-2-(3-methylbutoxy)benzenesulfonamide
CID 43164414
5-bromo-3-chloro-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 43164412
5-bromo-3-chloro-2-(2-propylsulfonylethoxy)benzenesulfonamide
CID 106726837
5-bromo-3-chloro-2-(3-fluoropropoxy)benzenesulfonyl chloride
CID 81106546
2-(4-bromo-2-chloro-6-sulfamoylphenoxy)acetamide
CID 82920977
5-bromo-2-(2-bromoprop-2-enoxy)-3-chlorobenzenesulfonamide
CID 82921777
5-bromo-3-chloro-2-(2-morpholin-4-ylethoxy)benzenesulfonamide
CID 82913513
5-bromo-3-chloro-2-[2-(2-oxoimidazolidin-1-yl)ethoxy]benzenesulfonamide
CID 43342363
5-bromo-3-chloro-2-fluorobenzenesulfonamide
CID 131622390
5-bromo-3-chloro-2-[(5-methyl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82920902

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide?
The IUPAC name of 5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide (CID 80694291) is 5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide.
What is the SMILES notation for 5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide?
The canonical SMILES for 5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Br)cc(Cl)c1OCCF.
What is the InChIKey of 5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide?
The InChIKey is JVOKMRLHAFIQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFNO3S/c9-5-3-6(10)8(15-2-1-11)7(4-5)16(12,13)14/h3-4H,1-2H2,(H2,12,13,14).
What are the key properties of 5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide?
5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide has a molecular weight of 332.58 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-2-(2-fluoroethoxy)benzenesulfonamide is sourced from PubChem (CID 80694291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).