2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide

C13H10BrF2NO4S2 — CID 4880275

IUPAC2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1Br
InChIInChI=1S/C13H10BrF2NO4S2/c14-11-3-1-2-4-12(11)23(20,21)17-9-5-7-10(8-6-9)22(18,19)13(15)16/h1-8,13,17H
InChIKeyKNPBAFWOJJCRRG-UHFFFAOYSA-N
MW426.26 g/mol
LogP3.25
Rot. Bonds5

About 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide

2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide (PubChem CID 4880275) has the molecular formula C13H10BrF2NO4S2 and a molecular weight of 426.26 g/mol. Its IUPAC name is 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide
PubChem CID4880275
Molecular FormulaC13H10BrF2NO4S2
Molecular Weight426.26 g/mol
Exact Mass424.92
IUPAC Name2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1Br
InChIInChI=1S/C13H10BrF2NO4S2/c14-11-3-1-2-4-12(11)23(20,21)17-9-5-7-10(8-6-9)22(18,19)13(15)16/h1-8,13,17H
InChIKeyKNPBAFWOJJCRRG-UHFFFAOYSA-N
XLogP3.25
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.26
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide?
The IUPAC name of 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide (CID 4880275) is 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(S(=O)(=O)C(F)F)cc1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide?
The InChIKey is KNPBAFWOJJCRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO4S2/c14-11-3-1-2-4-12(11)23(20,21)17-9-5-7-10(8-6-9)22(18,19)13(15)16/h1-8,13,17H.
What are the key properties of 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide?
2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide has a molecular weight of 426.26 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[4-(difluoromethylsulfonyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 4880275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).