1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide

C15H15NO5S2 — CID 11674754

IUPAC1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2OCc1ccccc1
InChIInChI=1S/C15H15NO5S2/c16-23(19,20)12-6-7-13-14(10-22(17,18)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H2,16,19,20)
InChIKeyGZAHTYXBJOEZLC-UHFFFAOYSA-N
MW353.42 g/mol
LogP1.38
Rot. Bonds4

About 1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide

1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide (PubChem CID 11674754) has the molecular formula C15H15NO5S2 and a molecular weight of 353.42 g/mol. Its IUPAC name is 1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide.

Molecular Properties

Compound Name1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide
PubChem CID11674754
Molecular FormulaC15H15NO5S2
Molecular Weight353.42 g/mol
Exact Mass353.04
IUPAC Name1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2OCc1ccccc1
InChIInChI=1S/C15H15NO5S2/c16-23(19,20)12-6-7-13-14(10-22(17,18)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H2,16,19,20)
InChIKeyGZAHTYXBJOEZLC-UHFFFAOYSA-N
XLogP1.38
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide?
The IUPAC name of 1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide (CID 11674754) is 1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide.
What is the SMILES notation for 1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide?
The canonical SMILES for 1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide is NS(=O)(=O)c1ccc2c(c1)S(=O)(=O)CC2OCc1ccccc1.
What is the InChIKey of 1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide?
The InChIKey is GZAHTYXBJOEZLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO5S2/c16-23(19,20)12-6-7-13-14(10-22(17,18)15(13)8-12)21-9-11-4-2-1-3-5-11/h1-8,14H,9-10H2,(H2,16,19,20).
What are the key properties of 1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide?
1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide has a molecular weight of 353.42 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dioxo-3-phenylmethoxy-2,3-dihydro-1-benzothiophene-6-sulfonamide is sourced from PubChem (CID 11674754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).