2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride

C8H8BrClFNO4S2 — CID 116530088

IUPAC2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H8BrClFNO4S2/c9-6-1-2-8(7(11)5-6)18(15,16)12-3-4-17(10,13)14/h1-2,5,12H,3-4H2
InChIKeyGMEZBJPBDAPVHI-UHFFFAOYSA-N
MW380.64 g/mol
LogP1.44
Rot. Bonds5

About 2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride

2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride (PubChem CID 116530088) has the molecular formula C8H8BrClFNO4S2 and a molecular weight of 380.64 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
PubChem CID116530088
Molecular FormulaC8H8BrClFNO4S2
Molecular Weight380.64 g/mol
Exact Mass378.88
IUPAC Name2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride
SMILESO=S(=O)(Cl)CCNS(=O)(=O)c1ccc(Br)cc1F
InChIInChI=1S/C8H8BrClFNO4S2/c9-6-1-2-8(7(11)5-6)18(15,16)12-3-4-17(10,13)14/h1-2,5,12H,3-4H2
InChIKeyGMEZBJPBDAPVHI-UHFFFAOYSA-N
XLogP1.44
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.64
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-2-fluoro-N-(2-methylsulfonylethyl)benzenesulfonamide
CID 116528194
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943
N-(3-aminopropyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527471
4-bromo-2-fluoro-N-(2-methylsulfinylethyl)benzenesulfonamide
CID 116528850
4-bromo-2-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 53364689
4-bromo-2-fluoro-N-[3-(methylamino)propyl]benzenesulfonamide;hydrochloride
CID 120707308
3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanethioamide
CID 116527556
4-bromo-N-[3-(2-chloroethoxy)propyl]-2-fluorobenzenesulfonamide
CID 114171196

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride (CID 116530088) is 2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride is O=S(=O)(Cl)CCNS(=O)(=O)c1ccc(Br)cc1F.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride?
The InChIKey is GMEZBJPBDAPVHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrClFNO4S2/c9-6-1-2-8(7(11)5-6)18(15,16)12-3-4-17(10,13)14/h1-2,5,12H,3-4H2.
What are the key properties of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride?
2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride has a molecular weight of 380.64 g/mol, XLogP of 1.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]ethanesulfonyl chloride is sourced from PubChem (CID 116530088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).