4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide

C19H13F2NO4S — CID 10524370

IUPAC4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H13F2NO4S/c20-16-8-14(11-1-4-13(5-2-11)27(22,23)24)15(9-17(16)21)12-3-6-18-19(7-12)26-10-25-18/h1-9H,10H2,(H2,22,23,24)
InChIKeyFJQRBWIOLPBVTA-UHFFFAOYSA-N
MW389.38 g/mol
LogP3.67
Rot. Bonds3

About 4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide

4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide (PubChem CID 10524370) has the molecular formula C19H13F2NO4S and a molecular weight of 389.38 g/mol. Its IUPAC name is 4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide
PubChem CID10524370
Molecular FormulaC19H13F2NO4S
Molecular Weight389.38 g/mol
Exact Mass389.05
IUPAC Name4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCO3)cc1
InChIInChI=1S/C19H13F2NO4S/c20-16-8-14(11-1-4-13(5-2-11)27(22,23)24)15(9-17(16)21)12-3-6-18-19(7-12)26-10-25-18/h1-9H,10H2,(H2,22,23,24)
InChIKeyFJQRBWIOLPBVTA-UHFFFAOYSA-N
XLogP3.67
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide?
The IUPAC name of 4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide (CID 10524370) is 4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide?
The canonical SMILES for 4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(F)c(F)cc2-c2ccc3c(c2)OCO3)cc1.
What is the InChIKey of 4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide?
The InChIKey is FJQRBWIOLPBVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F2NO4S/c20-16-8-14(11-1-4-13(5-2-11)27(22,23)24)15(9-17(16)21)12-3-6-18-19(7-12)26-10-25-18/h1-9H,10H2,(H2,22,23,24).
What are the key properties of 4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide?
4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide has a molecular weight of 389.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1,3-benzodioxol-5-yl)-4,5-difluorophenyl]benzenesulfonamide is sourced from PubChem (CID 10524370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).