4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide

C9H11BrFNO4S2 — CID 116528194

IUPAC4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO4S2/c1-17(13,14)5-4-12-18(15,16)9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeySGTRVVCLNIUODP-UHFFFAOYSA-N
MW360.23 g/mol
LogP0.91
Rot. Bonds5

About 4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide

4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide (PubChem CID 116528194) has the molecular formula C9H11BrFNO4S2 and a molecular weight of 360.23 g/mol. Its IUPAC name is 4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
PubChem CID116528194
Molecular FormulaC9H11BrFNO4S2
Molecular Weight360.23 g/mol
Exact Mass358.93
IUPAC Name4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
SMILESCS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C9H11BrFNO4S2/c1-17(13,14)5-4-12-18(15,16)9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3
InChIKeySGTRVVCLNIUODP-UHFFFAOYSA-N
XLogP0.91
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.23
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
CID 116530088
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 116528850
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)aniline
CID 60916324
5-amino-4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116529842
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689

Frequently Asked Questions

What is the IUPAC name of 4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide?
The IUPAC name of 4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide (CID 116528194) is 4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide is CS(=O)(=O)CCNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide?
The InChIKey is SGTRVVCLNIUODP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11BrFNO4S2/c1-17(13,14)5-4-12-18(15,16)9-3-2-7(10)6-8(9)11/h2-3,6,12H,4-5H2,1H3.
What are the key properties of 4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide?
4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide has a molecular weight of 360.23 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide is sourced from PubChem (CID 116528194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).