4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide

C19H14FNO4S — CID 23451113

IUPAC4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)OCO3)cc1
InChIInChI=1S/C19H14FNO4S/c20-14-5-1-12(2-6-14)16-9-18-19(25-11-24-18)10-17(16)13-3-7-15(8-4-13)26(21,22)23/h1-10H,11H2,(H2,21,22,23)
InChIKeyBYQHCWLTFJUYDE-UHFFFAOYSA-N
MW371.39 g/mol
LogP3.54
Rot. Bonds3

About 4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide

4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide (PubChem CID 23451113) has the molecular formula C19H14FNO4S and a molecular weight of 371.39 g/mol. Its IUPAC name is 4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide
PubChem CID23451113
Molecular FormulaC19H14FNO4S
Molecular Weight371.39 g/mol
Exact Mass371.06
IUPAC Name4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)OCO3)cc1
InChIInChI=1S/C19H14FNO4S/c20-14-5-1-12(2-6-14)16-9-18-19(25-11-24-18)10-17(16)13-3-7-15(8-4-13)26(21,22)23/h1-10H,11H2,(H2,21,22,23)
InChIKeyBYQHCWLTFJUYDE-UHFFFAOYSA-N
XLogP3.54
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.39
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide (CID 23451113) is 4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc3c(cc2-c2ccc(F)cc2)OCO3)cc1.
What is the InChIKey of 4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
The InChIKey is BYQHCWLTFJUYDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FNO4S/c20-14-5-1-12(2-6-14)16-9-18-19(25-11-24-18)10-17(16)13-3-7-15(8-4-13)26(21,22)23/h1-10H,11H2,(H2,21,22,23).
What are the key properties of 4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide?
4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide has a molecular weight of 371.39 g/mol, XLogP of 3.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(4-fluorophenyl)-1,3-benzodioxol-5-yl]benzenesulfonamide is sourced from PubChem (CID 23451113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).