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

C8H7BrF3NO2S — CID 79090264

IUPAC2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(F)cc1Br
InChIInChI=1S/C8H7BrF3NO2S/c9-6-3-5(10)1-2-7(6)16(14,15)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyXRWCSXDVUKJUNR-UHFFFAOYSA-N
MW318.11 g/mol
LogP2.13
Rot. Bonds4

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

2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide (PubChem CID 79090264) has the molecular formula C8H7BrF3NO2S and a molecular weight of 318.11 g/mol. Its IUPAC name is 2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
PubChem CID79090264
Molecular FormulaC8H7BrF3NO2S
Molecular Weight318.11 g/mol
Exact Mass316.93
IUPAC Name2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccc(F)cc1Br
InChIInChI=1S/C8H7BrF3NO2S/c9-6-3-5(10)1-2-7(6)16(14,15)13-4-8(11)12/h1-3,8,13H,4H2
InChIKeyXRWCSXDVUKJUNR-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

3-[(2-bromo-4-fluorophenyl)sulfonylamino]-2-hydroxypropanoic acid
CID 66165035
4-bromo-N-(2,2-difluoroethyl)-2-fluorobenzenesulfonamide
CID 116528761
2-bromo-4-fluoro-N-(2-hydroxyethyl)benzenesulfonamide
CID 60823428
N-(3-aminobutyl)-2-bromo-4-fluorobenzenesulfonamide
CID 63254005
2-bromo-4-fluoro-N-pentylbenzenesulfonamide
CID 47257446
2-bromo-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 47204744
2-bromo-N-(2,2-difluoroethyl)-4-(propylaminomethyl)benzenesulfonamide
CID 115409236
4-bromo-2-chloro-N-(2,2-difluoroethyl)benzenesulfonamide
CID 79089778
2-bromo-4-fluoro-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 60823464
2-bromo-N-(2,3-dihydroxy-2-methylpropyl)-4-fluorobenzenesulfonamide
CID 66170192
2-bromo-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 47203987
2-bromo-N-[2-(cyclopropylamino)ethyl]-4-fluorobenzenesulfonamide
CID 55101027

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide?
The IUPAC name of 2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide (CID 79090264) is 2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide is O=S(=O)(NCC(F)F)c1ccc(F)cc1Br.
What is the InChIKey of 2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide?
The InChIKey is XRWCSXDVUKJUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrF3NO2S/c9-6-3-5(10)1-2-7(6)16(14,15)13-4-8(11)12/h1-3,8,13H,4H2.
What are the key properties of 2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide?
2-bromo-N-(2,2-difluoroethyl)-4-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 2-bromo-N-(2,2-difluoroethyl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 79090264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).