4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide

C20H15F2NO4S — CID 10787338

IUPAC4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H15F2NO4S/c21-17-10-15(12-1-4-14(5-2-12)28(23,24)25)16(11-18(17)22)13-3-6-19-20(9-13)27-8-7-26-19/h1-6,9-11H,7-8H2,(H2,23,24,25)
InChIKeyRKDRZOIGQPIOJE-UHFFFAOYSA-N
MW403.41 g/mol
LogP3.72
Rot. Bonds3

About 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide

4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 10787338) has the molecular formula C20H15F2NO4S and a molecular weight of 403.41 g/mol. Its IUPAC name is 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID10787338
Molecular FormulaC20H15F2NO4S
Molecular Weight403.41 g/mol
Exact Mass403.07
IUPAC Name4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCCO3)cc1
InChIInChI=1S/C20H15F2NO4S/c21-17-10-15(12-1-4-14(5-2-12)28(23,24)25)16(11-18(17)22)13-3-6-19-20(9-13)27-8-7-26-19/h1-6,9-11H,7-8H2,(H2,23,24,25)
InChIKeyRKDRZOIGQPIOJE-UHFFFAOYSA-N
XLogP3.72
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.41
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide (CID 10787338) is 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCCO3)cc1.
What is the InChIKey of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is RKDRZOIGQPIOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2NO4S/c21-17-10-15(12-1-4-14(5-2-12)28(23,24)25)16(11-18(17)22)13-3-6-19-20(9-13)27-8-7-26-19/h1-6,9-11H,7-8H2,(H2,23,24,25).
What are the key properties of 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide?
4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 403.41 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,3-dihydro-1,4-benzodioxin-6-yl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 10787338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).