3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide

C24H20F2N2O5S — CID 58347245

IUPAC3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C24H20F2N2O5S/c1-14-5-7-17(28-22(14)15-3-2-4-18(11-15)34(27,30)31)13-21(29)23(9-10-23)16-6-8-19-20(12-16)33-24(25,26)32-19/h2-8,11-12H,9-10,13H2,1H3,(H2,27,30,31)
InChIKeyBNYQHVHBXJVNOB-UHFFFAOYSA-N
MW486.50 g/mol
LogP3.87
Rot. Bonds6

About 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide

3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide (PubChem CID 58347245) has the molecular formula C24H20F2N2O5S and a molecular weight of 486.50 g/mol. Its IUPAC name is 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide
PubChem CID58347245
Molecular FormulaC24H20F2N2O5S
Molecular Weight486.50 g/mol
Exact Mass486.11
IUPAC Name3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide
SMILESCc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C24H20F2N2O5S/c1-14-5-7-17(28-22(14)15-3-2-4-18(11-15)34(27,30)31)13-21(29)23(9-10-23)16-6-8-19-20(12-16)33-24(25,26)32-19/h2-8,11-12H,9-10,13H2,1H3,(H2,27,30,31)
InChIKeyBNYQHVHBXJVNOB-UHFFFAOYSA-N
XLogP3.87
TPSA108.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide?
The IUPAC name of 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide (CID 58347245) is 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide.
What is the SMILES notation for 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide?
The canonical SMILES for 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide is Cc1ccc(CC(=O)C2(c3ccc4c(c3)OC(F)(F)O4)CC2)nc1-c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide?
The InChIKey is BNYQHVHBXJVNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F2N2O5S/c1-14-5-7-17(28-22(14)15-3-2-4-18(11-15)34(27,30)31)13-21(29)23(9-10-23)16-6-8-19-20(12-16)33-24(25,26)32-19/h2-8,11-12H,9-10,13H2,1H3,(H2,27,30,31).
What are the key properties of 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide?
3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide has a molecular weight of 486.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[2-[1-(2,2-difluoro-1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-3-methyl-2-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 58347245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).