4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide

C10H13BrFNO4S2 — CID 113242592

IUPAC4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H13BrFNO4S2/c1-2-18(14,15)6-5-13-19(16,17)8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyYTPLGYCZUOKWRP-UHFFFAOYSA-N
MW374.25 g/mol
LogP1.30
Rot. Bonds6

About 4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide

4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide (PubChem CID 113242592) has the molecular formula C10H13BrFNO4S2 and a molecular weight of 374.25 g/mol. Its IUPAC name is 4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
PubChem CID113242592
Molecular FormulaC10H13BrFNO4S2
Molecular Weight374.25 g/mol
Exact Mass372.95
IUPAC Name4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide
SMILESCCS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)c(F)c1
InChIInChI=1S/C10H13BrFNO4S2/c1-2-18(14,15)6-5-13-19(16,17)8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3
InChIKeyYTPLGYCZUOKWRP-UHFFFAOYSA-N
XLogP1.30
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-N-[2-(dimethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106341837
4-bromo-3-fluoro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119973263
4-bromo-3-fluoro-N-(2-propan-2-yloxyethyl)benzenesulfonamide
CID 113431383
N-(2-amino-2-methylpropyl)-4-bromo-3-fluorobenzenesulfonamide
CID 103829047
4-bromo-N-[(1-ethylcyclopropyl)methyl]-3-fluorobenzenesulfonamide
CID 103737613
4-bromo-3-fluoro-N-pentan-3-ylbenzenesulfonamide
CID 103697155
ethyl 2-[(4-bromo-3-fluorophenyl)sulfonylamino]acetate
CID 113242602
4-bromo-3-fluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 103697368
4-bromo-3-fluoro-N-heptan-4-ylbenzenesulfonamide
CID 130254293
4-bromo-3-fluoro-N-[2-(1-methylpyrazol-4-yl)ethyl]benzenesulfonamide
CID 103697397
4-bromo-3-fluoro-N-[2-(methanesulfonamido)-2-methylpropyl]benzenesulfonamide
CID 103697603
4-bromo-N-[2-(cyclopropylmethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 113242600

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide (CID 113242592) is 4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide is CCS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)c(F)c1.
What is the InChIKey of 4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide?
The InChIKey is YTPLGYCZUOKWRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO4S2/c1-2-18(14,15)6-5-13-19(16,17)8-3-4-9(11)10(12)7-8/h3-4,7,13H,2,5-6H2,1H3.
What are the key properties of 4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide?
4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide has a molecular weight of 374.25 g/mol, XLogP of 1.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2-ethylsulfonylethyl)-3-fluorobenzenesulfonamide is sourced from PubChem (CID 113242592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).