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

C9H11NO5S2 — CID 14950175

IUPAC6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide
SMILESCOc1ccc2c(c1)S(=O)(=O)C(S(N)(=O)=O)C2
InChIInChI=1S/C9H11NO5S2/c1-15-7-3-2-6-4-9(17(10,13)14)16(11,12)8(6)5-7/h2-3,5,9H,4H2,1H3,(H2,10,13,14)
InChIKeyLIWNBMPRVXWOTF-UHFFFAOYSA-N
MW277.32 g/mol
LogP-0.36
Rot. Bonds2

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

6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide (PubChem CID 14950175) has the molecular formula C9H11NO5S2 and a molecular weight of 277.32 g/mol. Its IUPAC name is 6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide
PubChem CID14950175
Molecular FormulaC9H11NO5S2
Molecular Weight277.32 g/mol
Exact Mass277.01
IUPAC Name6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide
SMILESCOc1ccc2c(c1)S(=O)(=O)C(S(N)(=O)=O)C2
InChIInChI=1S/C9H11NO5S2/c1-15-7-3-2-6-4-9(17(10,13)14)16(11,12)8(6)5-7/h2-3,5,9H,4H2,1H3,(H2,10,13,14)
InChIKeyLIWNBMPRVXWOTF-UHFFFAOYSA-N
XLogP-0.36
TPSA103.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 5-0.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide?
The IUPAC name of 6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide (CID 14950175) is 6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide is COc1ccc2c(c1)S(=O)(=O)C(S(N)(=O)=O)C2.
What is the InChIKey of 6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide?
The InChIKey is LIWNBMPRVXWOTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO5S2/c1-15-7-3-2-6-4-9(17(10,13)14)16(11,12)8(6)5-7/h2-3,5,9H,4H2,1H3,(H2,10,13,14).
What are the key properties of 6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide?
6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide has a molecular weight of 277.32 g/mol, XLogP of -0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1,1-dioxo-2,3-dihydro-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 14950175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).