4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide

C8H7BrF3NO2S — CID 116528761

IUPAC4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(Br)cc1F
InChIInChI=1S/C8H7BrF3NO2S/c9-5-1-2-7(6(10)3-5)16(14,15)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyQYVHUAOCVSPIQJ-UHFFFAOYSA-N
MW318.11 g/mol
LogP2.13
Rot. Bonds4

About 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide

4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide (PubChem CID 116528761) has the molecular formula C8H7BrF3NO2S and a molecular weight of 318.11 g/mol. Its IUPAC name is 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
PubChem CID116528761
Molecular FormulaC8H7BrF3NO2S
Molecular Weight318.11 g/mol
Exact Mass316.93
IUPAC Name4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(Br)cc1F
InChIInChI=1S/C8H7BrF3NO2S/c9-5-1-2-7(6(10)3-5)16(14,15)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyQYVHUAOCVSPIQJ-UHFFFAOYSA-N
XLogP2.13
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.11
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-2-fluoro-N-(3-methyl-2-propan-2-ylbutyl)benzenesulfonamide
CID 102907724
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
4-bromo-2-fluoro-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 116527730
4-bromo-N-ethyl-2-fluorobenzenesulfonamide
CID 116527445
4-bromo-N-(2-bromo-3-ethylpentyl)-2-fluorobenzenesulfonamide
CID 106288659
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide
CID 116527470
4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide
CID 116530073
methyl 2-bromo-3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 103493671
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446
N-(2-aminoethyl)-4-bromo-2-fluorobenzenesulfonamide;hydrochloride
CID 120706203
2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
CID 79090264
4-bromo-N-[2-(dimethylamino)ethyl]-2-fluorobenzenesulfonamide
CID 86796943

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide (CID 116528761) is 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide is O=S(=O)(NCC(F)F)c1ccc(Br)cc1F.
What is the InChIKey of 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide?
The InChIKey is QYVHUAOCVSPIQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2S/c9-5-1-2-7(6(10)3-5)16(14,15)13-4-8(11)12/h1-3,8,13H,4H2.
What are the key properties of 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide?
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide has a molecular weight of 318.11 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 116528761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).