3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide

C17H14F2N2O5S2 — CID 4300352

IUPAC3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H14F2N2O5S2/c18-16-7-6-15(10-17(16)19)28(24,25)21-12-3-1-5-14(9-12)27(22,23)20-11-13-4-2-8-26-13/h1-10,20-21H,11H2
InChIKeyKBOJSSBJGVWVHX-UHFFFAOYSA-N
MW428.44 g/mol
LogP2.84
Rot. Bonds7

About 3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide

3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide (PubChem CID 4300352) has the molecular formula C17H14F2N2O5S2 and a molecular weight of 428.44 g/mol. Its IUPAC name is 3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
PubChem CID4300352
Molecular FormulaC17H14F2N2O5S2
Molecular Weight428.44 g/mol
Exact Mass428.03
IUPAC Name3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1
InChIInChI=1S/C17H14F2N2O5S2/c18-16-7-6-15(10-17(16)19)28(24,25)21-12-3-1-5-14(9-12)27(22,23)20-11-13-4-2-8-26-13/h1-10,20-21H,11H2
InChIKeyKBOJSSBJGVWVHX-UHFFFAOYSA-N
XLogP2.84
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
The IUPAC name of 3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide (CID 4300352) is 3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
The canonical SMILES for 3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide is O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2)c1.
What is the InChIKey of 3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
The InChIKey is KBOJSSBJGVWVHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O5S2/c18-16-7-6-15(10-17(16)19)28(24,25)21-12-3-1-5-14(9-12)27(22,23)20-11-13-4-2-8-26-13/h1-10,20-21H,11H2.
What are the key properties of 3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide?
3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide has a molecular weight of 428.44 g/mol, XLogP of 2.84, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-[3-(furan-2-ylmethylsulfamoyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 4300352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).