7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide

C16H13NO4S2 — CID 70245231

IUPAC7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide
SMILESNS(=O)(=O)c1c(Cc2ccccc2)sc2ccc3c(c12)OCO3
InChIInChI=1S/C16H13NO4S2/c17-23(18,19)16-13(8-10-4-2-1-3-5-10)22-12-7-6-11-15(14(12)16)21-9-20-11/h1-7H,8-9H2,(H2,17,18,19)
InChIKeyNFCOVQSMPVCFQW-UHFFFAOYSA-N
MW347.42 g/mol
LogP2.87
Rot. Bonds3

About 7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide

7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide (PubChem CID 70245231) has the molecular formula C16H13NO4S2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide.

Molecular Properties

Compound Name7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide
PubChem CID70245231
Molecular FormulaC16H13NO4S2
Molecular Weight347.42 g/mol
Exact Mass347.03
IUPAC Name7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide
SMILESNS(=O)(=O)c1c(Cc2ccccc2)sc2ccc3c(c12)OCO3
InChIInChI=1S/C16H13NO4S2/c17-23(18,19)16-13(8-10-4-2-1-3-5-10)22-12-7-6-11-15(14(12)16)21-9-20-11/h1-7H,8-9H2,(H2,17,18,19)
InChIKeyNFCOVQSMPVCFQW-UHFFFAOYSA-N
XLogP2.87
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide?
The IUPAC name of 7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide (CID 70245231) is 7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide.
What is the SMILES notation for 7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide?
The canonical SMILES for 7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide is NS(=O)(=O)c1c(Cc2ccccc2)sc2ccc3c(c12)OCO3.
What is the InChIKey of 7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide?
The InChIKey is NFCOVQSMPVCFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO4S2/c17-23(18,19)16-13(8-10-4-2-1-3-5-10)22-12-7-6-11-15(14(12)16)21-9-20-11/h1-7H,8-9H2,(H2,17,18,19).
What are the key properties of 7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide?
7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide has a molecular weight of 347.42 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzylthieno[2,3-g][1,3]benzodioxole-8-sulfonamide is sourced from PubChem (CID 70245231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).