N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

C18H21NO5S2 — CID 30944371

IUPACN-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H21NO5S2/c20-26(21,14-3-4-15-16(12-14)24-10-9-23-15)19-13-18(5-7-22-8-6-18)17-2-1-11-25-17/h1-4,11-12,19H,5-10,13H2
InChIKeyUKDIQAMNZGQNOK-UHFFFAOYSA-N
MW395.50 g/mol
LogP2.55
Rot. Bonds5

About N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide

N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (PubChem CID 30944371) has the molecular formula C18H21NO5S2 and a molecular weight of 395.50 g/mol. Its IUPAC name is N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.

Molecular Properties

Compound NameN-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
PubChem CID30944371
Molecular FormulaC18H21NO5S2
Molecular Weight395.50 g/mol
Exact Mass395.09
IUPAC NameN-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
SMILESO=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc2c(c1)OCCO2
InChIInChI=1S/C18H21NO5S2/c20-26(21,14-3-4-15-16(12-14)24-10-9-23-15)19-13-18(5-7-22-8-6-18)17-2-1-11-25-17/h1-4,11-12,19H,5-10,13H2
InChIKeyUKDIQAMNZGQNOK-UHFFFAOYSA-N
XLogP2.55
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-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-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The IUPAC name of N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide (CID 30944371) is N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide.
What is the SMILES notation for N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The canonical SMILES for N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is O=S(=O)(NCC1(c2cccs2)CCOCC1)c1ccc2c(c1)OCCO2.
What is the InChIKey of N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
The InChIKey is UKDIQAMNZGQNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S2/c20-26(21,14-3-4-15-16(12-14)24-10-9-23-15)19-13-18(5-7-22-8-6-18)17-2-1-11-25-17/h1-4,11-12,19H,5-10,13H2.
What are the key properties of N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide?
N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide has a molecular weight of 395.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-thiophen-2-yloxan-4-yl)methyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide is sourced from PubChem (CID 30944371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).