2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide

C11H10BrNO3S — CID 3804100

IUPAC2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccccc1Br
InChIInChI=1S/C11H10BrNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2
InChIKeyQTHMFPXNYGPWSF-UHFFFAOYSA-N
MW316.18 g/mol
LogP2.52
Rot. Bonds4

About 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide

2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 3804100) has the molecular formula C11H10BrNO3S and a molecular weight of 316.18 g/mol. Its IUPAC name is 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID3804100
Molecular FormulaC11H10BrNO3S
Molecular Weight316.18 g/mol
Exact Mass314.96
IUPAC Name2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccccc1Br
InChIInChI=1S/C11H10BrNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2
InChIKeyQTHMFPXNYGPWSF-UHFFFAOYSA-N
XLogP2.52
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.18
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide (CID 3804100) is 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccco1)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is QTHMFPXNYGPWSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrNO3S/c12-10-5-1-2-6-11(10)17(14,15)13-8-9-4-3-7-16-9/h1-7,13H,8H2.
What are the key properties of 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide?
2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 316.18 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 3804100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).