2-bromo-4-(difluoromethyl)benzenesulfonamide

C7H6BrF2NO2S — CID 167729669

IUPAC2-bromo-4-(difluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(F)F)cc1Br
InChIInChI=1S/C7H6BrF2NO2S/c8-5-3-4(7(9)10)1-2-6(5)14(11,12)13/h1-3,7H,(H2,11,12,13)
InChIKeyFYWZSNLXOHOAHW-UHFFFAOYSA-N
MW286.10 g/mol
LogP2.03
Rot. Bonds2

About 2-bromo-4-(difluoromethyl)benzenesulfonamide

2-bromo-4-(difluoromethyl)benzenesulfonamide (PubChem CID 167729669) has the molecular formula C7H6BrF2NO2S and a molecular weight of 286.10 g/mol. Its IUPAC name is 2-bromo-4-(difluoromethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-4-(difluoromethyl)benzenesulfonamide
PubChem CID167729669
Molecular FormulaC7H6BrF2NO2S
Molecular Weight286.10 g/mol
Exact Mass284.93
IUPAC Name2-bromo-4-(difluoromethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(C(F)F)cc1Br
InChIInChI=1S/C7H6BrF2NO2S/c8-5-3-4(7(9)10)1-2-6(5)14(11,12)13/h1-3,7H,(H2,11,12,13)
InChIKeyFYWZSNLXOHOAHW-UHFFFAOYSA-N
XLogP2.03
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.10
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(difluoromethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-4-(difluoromethyl)benzenesulfonamide (CID 167729669) is 2-bromo-4-(difluoromethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-4-(difluoromethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-4-(difluoromethyl)benzenesulfonamide is NS(=O)(=O)c1ccc(C(F)F)cc1Br.
What is the InChIKey of 2-bromo-4-(difluoromethyl)benzenesulfonamide?
The InChIKey is FYWZSNLXOHOAHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrF2NO2S/c8-5-3-4(7(9)10)1-2-6(5)14(11,12)13/h1-3,7H,(H2,11,12,13).
What are the key properties of 2-bromo-4-(difluoromethyl)benzenesulfonamide?
2-bromo-4-(difluoromethyl)benzenesulfonamide has a molecular weight of 286.10 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(difluoromethyl)benzenesulfonamide is sourced from PubChem (CID 167729669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).