4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide

C7H5Br2F2NO3S — CID 118852223

IUPAC4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(Br)cc1OC(F)F
InChIInChI=1S/C7H5Br2F2NO3S/c8-3-1-5(15-7(10)11)6(2-4(3)9)16(12,13)14/h1-2,7H,(H2,12,13,14)
InChIKeyQHXUKURIIIADMM-UHFFFAOYSA-N
MW380.99 g/mol
LogP2.46
Rot. Bonds3

About 4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide

4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide (PubChem CID 118852223) has the molecular formula C7H5Br2F2NO3S and a molecular weight of 380.99 g/mol. Its IUPAC name is 4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide.

Molecular Properties

Compound Name4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide
PubChem CID118852223
Molecular FormulaC7H5Br2F2NO3S
Molecular Weight380.99 g/mol
Exact Mass378.83
IUPAC Name4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)c(Br)cc1OC(F)F
InChIInChI=1S/C7H5Br2F2NO3S/c8-3-1-5(15-7(10)11)6(2-4(3)9)16(12,13)14/h1-2,7H,(H2,12,13,14)
InChIKeyQHXUKURIIIADMM-UHFFFAOYSA-N
XLogP2.46
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.99
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(difluoromethoxy)-5-formyl-4-nitrobenzenesulfonamide
CID 171027507
4,5-dibromo-2-(difluoromethoxy)benzamide
CID 118851773
2,4-dibromo-5-(difluoromethoxy)benzenesulfonyl chloride
CID 131266855
1,2-dibromo-4-(difluoromethoxy)-5-nitrobenzene
CID 118802196
2-bromo-4-(difluoromethoxy)-5-fluoroaniline
CID 131289039
2-(difluoromethoxy)-3,5-dimethylbenzenesulfonamide
CID 165474374
2-bromo-4-(difluoromethoxy)-5-methoxyaniline
CID 68604722
2,5-dibromo-4-(difluoromethoxy)benzoic acid
CID 119002242
1-bromo-4-chloro-5-(difluoromethoxy)-2-fluorobenzene
CID 75365418
5-bromo-4-(difluoromethoxy)-2-iodoaniline
CID 131323570
1,2,5-tribromo-3-(difluoromethoxy)benzene
CID 118826351
2-[2-[2-(difluoromethoxy)phenyl]ethenylsulfonylamino]benzenesulfonamide
CID 68787125

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide?
The IUPAC name of 4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide (CID 118852223) is 4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide.
What is the SMILES notation for 4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide?
The canonical SMILES for 4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide is NS(=O)(=O)c1cc(Br)c(Br)cc1OC(F)F.
What is the InChIKey of 4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide?
The InChIKey is QHXUKURIIIADMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Br2F2NO3S/c8-3-1-5(15-7(10)11)6(2-4(3)9)16(12,13)14/h1-2,7H,(H2,12,13,14).
What are the key properties of 4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide?
4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide has a molecular weight of 380.99 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-2-(difluoromethoxy)benzenesulfonamide is sourced from PubChem (CID 118852223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).