6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide

C10H13NO3S — CID 131503825

IUPAC6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide
SMILESNS(=O)(=O)C1CCc2cc(O)ccc2C1
InChIInChI=1S/C10H13NO3S/c11-15(13,14)10-4-2-7-5-9(12)3-1-8(7)6-10/h1,3,5,10,12H,2,4,6H2,(H2,11,13,14)
InChIKeyCNTHLDRMHZJWQG-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.54
Rot. Bonds1

About 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide

6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide (PubChem CID 131503825) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound Name6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide
PubChem CID131503825
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide
SMILESNS(=O)(=O)C1CCc2cc(O)ccc2C1
InChIInChI=1S/C10H13NO3S/c11-15(13,14)10-4-2-7-5-9(12)3-1-8(7)6-10/h1,3,5,10,12H,2,4,6H2,(H2,11,13,14)
InChIKeyCNTHLDRMHZJWQG-UHFFFAOYSA-N
XLogP0.54
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide (CID 131503825) is 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide is NS(=O)(=O)C1CCc2cc(O)ccc2C1.
What is the InChIKey of 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is CNTHLDRMHZJWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c11-15(13,14)10-4-2-7-5-9(12)3-1-8(7)6-10/h1,3,5,10,12H,2,4,6H2,(H2,11,13,14).
What are the key properties of 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide?
6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 227.28 g/mol, XLogP of 0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydroxy-1,2,3,4-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 131503825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).