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

C12H11F2NO4S — CID 51107250

IUPAC2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccccc1OC(F)F
InChIInChI=1S/C12H11F2NO4S/c13-12(14)19-10-5-1-2-6-11(10)20(16,17)15-8-9-4-3-7-18-9/h1-7,12,15H,8H2
InChIKeyIIHLSIOLBFCVDX-UHFFFAOYSA-N
MW303.29 g/mol
LogP2.36
Rot. Bonds6

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

2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide (PubChem CID 51107250) has the molecular formula C12H11F2NO4S and a molecular weight of 303.29 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide
PubChem CID51107250
Molecular FormulaC12H11F2NO4S
Molecular Weight303.29 g/mol
Exact Mass303.04
IUPAC Name2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1ccccc1OC(F)F
InChIInChI=1S/C12H11F2NO4S/c13-12(14)19-10-5-1-2-6-11(10)20(16,17)15-8-9-4-3-7-18-9/h1-7,12,15H,8H2
InChIKeyIIHLSIOLBFCVDX-UHFFFAOYSA-N
XLogP2.36
TPSA68.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide (CID 51107250) is 2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccco1)c1ccccc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide?
The InChIKey is IIHLSIOLBFCVDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2NO4S/c13-12(14)19-10-5-1-2-6-11(10)20(16,17)15-8-9-4-3-7-18-9/h1-7,12,15H,8H2.
What are the key properties of 2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide?
2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide has a molecular weight of 303.29 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N-(furan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 51107250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).