5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide

C10H13BrFNO2S — CID 110760986

IUPAC5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-10(2,3)13-16(14,15)9-6-7(11)4-5-8(9)12/h4-6,13H,1-3H3
InChIKeyHOXHBQHAZPXENX-UHFFFAOYSA-N
MW310.19 g/mol
LogP2.66
Rot. Bonds2

About 5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide

5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide (PubChem CID 110760986) has the molecular formula C10H13BrFNO2S and a molecular weight of 310.19 g/mol. Its IUPAC name is 5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide
PubChem CID110760986
Molecular FormulaC10H13BrFNO2S
Molecular Weight310.19 g/mol
Exact Mass308.98
IUPAC Name5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1cc(Br)ccc1F
InChIInChI=1S/C10H13BrFNO2S/c1-10(2,3)13-16(14,15)9-6-7(11)4-5-8(9)12/h4-6,13H,1-3H3
InChIKeyHOXHBQHAZPXENX-UHFFFAOYSA-N
XLogP2.66
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.19
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide?
The IUPAC name of 5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide (CID 110760986) is 5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide is CC(C)(C)NS(=O)(=O)c1cc(Br)ccc1F.
What is the InChIKey of 5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide?
The InChIKey is HOXHBQHAZPXENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrFNO2S/c1-10(2,3)13-16(14,15)9-6-7(11)4-5-8(9)12/h4-6,13H,1-3H3.
What are the key properties of 5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide?
5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide has a molecular weight of 310.19 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-tert-butyl-2-fluorobenzenesulfonamide is sourced from PubChem (CID 110760986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).