6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide

C10H13NO4S2 — CID 4165

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IUPAC6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide
SMILESCc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2
InChIInChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)
InChIKeyFNQQBFNIYODEMB-UHFFFAOYSA-N
MW275.35 g/mol
LogP0.36
Rot. Bonds1

About 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide

6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide (PubChem CID 4165) has the molecular formula C10H13NO4S2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide.

Molecular Properties

Compound Name6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide
PubChem CID4165
Molecular FormulaC10H13NO4S2
Molecular Weight275.35 g/mol
Exact Mass275.03
IUPAC Name6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide
SMILESCc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2
InChIInChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15)
InChIKeyFNQQBFNIYODEMB-UHFFFAOYSA-N
XLogP0.36
TPSA94.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide?
The IUPAC name of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide (CID 4165) is 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide.
What is the SMILES notation for 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide?
The canonical SMILES for 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide is Cc1cc2c(cc1S(N)(=O)=O)S(=O)(=O)CCC2.
What is the InChIKey of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide?
The InChIKey is FNQQBFNIYODEMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO4S2/c1-7-5-8-3-2-4-16(12,13)10(8)6-9(7)17(11,14)15/h5-6H,2-4H2,1H3,(H2,11,14,15).
What are the key properties of 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide?
6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide has a molecular weight of 275.35 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-1,1-dioxo-3,4-dihydro-2H-thiochromene-7-sulfonamide is sourced from PubChem (CID 4165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).