6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide

C9H11NO3S2 — CID 118218035

IUPAC6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide
SMILESCC1CC(=O)c2cc(S(N)(=O)=O)sc2C1
InChIInChI=1S/C9H11NO3S2/c1-5-2-7(11)6-4-9(15(10,12)13)14-8(6)3-5/h4-5H,2-3H2,1H3,(H2,10,12,13)
InChIKeyDBDDFUGISDKHMT-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.16
Rot. Bonds1

About 6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide

6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide (PubChem CID 118218035) has the molecular formula C9H11NO3S2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide.

Molecular Properties

Compound Name6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide
PubChem CID118218035
Molecular FormulaC9H11NO3S2
Molecular Weight245.32 g/mol
Exact Mass245.02
IUPAC Name6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide
SMILESCC1CC(=O)c2cc(S(N)(=O)=O)sc2C1
InChIInChI=1S/C9H11NO3S2/c1-5-2-7(11)6-4-9(15(10,12)13)14-8(6)3-5/h4-5H,2-3H2,1H3,(H2,10,12,13)
InChIKeyDBDDFUGISDKHMT-UHFFFAOYSA-N
XLogP1.16
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide?
The IUPAC name of 6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide (CID 118218035) is 6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide.
What is the SMILES notation for 6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide?
The canonical SMILES for 6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide is CC1CC(=O)c2cc(S(N)(=O)=O)sc2C1.
What is the InChIKey of 6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide?
The InChIKey is DBDDFUGISDKHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S2/c1-5-2-7(11)6-4-9(15(10,12)13)14-8(6)3-5/h4-5H,2-3H2,1H3,(H2,10,12,13).
What are the key properties of 6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide?
6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide has a molecular weight of 245.32 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-oxo-6,7-dihydro-5H-1-benzothiophene-2-sulfonamide is sourced from PubChem (CID 118218035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).