5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide

C11H13NO3S — CID 115420370

IUPAC5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide
SMILESCC1CCC(=O)c2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C11H13NO3S/c1-7-2-5-11(13)10-6-8(16(12,14)15)3-4-9(7)10/h3-4,6-7H,2,5H2,1H3,(H2,12,14,15)
InChIKeyPDWAGWIQZXNZPL-UHFFFAOYSA-N
MW239.30 g/mol
LogP1.41
Rot. Bonds1

About 5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide

5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide (PubChem CID 115420370) has the molecular formula C11H13NO3S and a molecular weight of 239.30 g/mol. Its IUPAC name is 5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide.

Molecular Properties

Compound Name5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide
PubChem CID115420370
Molecular FormulaC11H13NO3S
Molecular Weight239.30 g/mol
Exact Mass239.06
IUPAC Name5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide
SMILESCC1CCC(=O)c2cc(S(N)(=O)=O)ccc21
InChIInChI=1S/C11H13NO3S/c1-7-2-5-11(13)10-6-8(16(12,14)15)3-4-9(7)10/h3-4,6-7H,2,5H2,1H3,(H2,12,14,15)
InChIKeyPDWAGWIQZXNZPL-UHFFFAOYSA-N
XLogP1.41
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.30
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide?
The IUPAC name of 5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide (CID 115420370) is 5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide.
What is the SMILES notation for 5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide?
The canonical SMILES for 5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide is CC1CCC(=O)c2cc(S(N)(=O)=O)ccc21.
What is the InChIKey of 5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide?
The InChIKey is PDWAGWIQZXNZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3S/c1-7-2-5-11(13)10-6-8(16(12,14)15)3-4-9(7)10/h3-4,6-7H,2,5H2,1H3,(H2,12,14,15).
What are the key properties of 5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide?
5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide has a molecular weight of 239.30 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-8-oxo-6,7-dihydro-5H-naphthalene-2-sulfonamide is sourced from PubChem (CID 115420370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).