N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide

C18H20N2O4S — CID 71884039

IUPACN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccnc1
InChIInChI=1S/C18H20N2O4S/c21-25(22,15-4-3-9-19-13-15)20-18(7-1-2-8-18)14-5-6-16-17(12-14)24-11-10-23-16/h3-6,9,12-13,20H,1-2,7-8,10-11H2
InChIKeyIVJJAEPXGUXMPC-UHFFFAOYSA-N
MW360.44 g/mol
LogP2.60
Rot. Bonds4

About N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide

N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide (PubChem CID 71884039) has the molecular formula C18H20N2O4S and a molecular weight of 360.44 g/mol. Its IUPAC name is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide
PubChem CID71884039
Molecular FormulaC18H20N2O4S
Molecular Weight360.44 g/mol
Exact Mass360.11
IUPAC NameN-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide
SMILESO=S(=O)(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccnc1
InChIInChI=1S/C18H20N2O4S/c21-25(22,15-4-3-9-19-13-15)20-18(7-1-2-8-18)14-5-6-16-17(12-14)24-11-10-23-16/h3-6,9,12-13,20H,1-2,7-8,10-11H2
InChIKeyIVJJAEPXGUXMPC-UHFFFAOYSA-N
XLogP2.60
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.44
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide 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 N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide?
The IUPAC name of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide (CID 71884039) is N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide.
What is the SMILES notation for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide?
The canonical SMILES for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide is O=S(=O)(NC1(c2ccc3c(c2)OCCO3)CCCC1)c1cccnc1.
What is the InChIKey of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide?
The InChIKey is IVJJAEPXGUXMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4S/c21-25(22,15-4-3-9-19-13-15)20-18(7-1-2-8-18)14-5-6-16-17(12-14)24-11-10-23-16/h3-6,9,12-13,20H,1-2,7-8,10-11H2.
What are the key properties of N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide?
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide has a molecular weight of 360.44 g/mol, XLogP of 2.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]pyridine-3-sulfonamide is sourced from PubChem (CID 71884039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).