8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide

C12H13NO3S — CID 13180270

IUPAC8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2cccc(O)c12
InChIInChI=1S/C12H13NO3S/c1-13(2)17(15,16)11-8-4-6-9-5-3-7-10(14)12(9)11/h3-8,14H,1-2H3
InChIKeyQIVPEBDWUCUOPA-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.80
Rot. Bonds2

About 8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide

8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide (PubChem CID 13180270) has the molecular formula C12H13NO3S and a molecular weight of 251.31 g/mol. Its IUPAC name is 8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide.

Molecular Properties

Compound Name8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide
PubChem CID13180270
Molecular FormulaC12H13NO3S
Molecular Weight251.31 g/mol
Exact Mass251.06
IUPAC Name8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide
SMILESCN(C)S(=O)(=O)c1cccc2cccc(O)c12
InChIInChI=1S/C12H13NO3S/c1-13(2)17(15,16)11-8-4-6-9-5-3-7-10(14)12(9)11/h3-8,14H,1-2H3
InChIKeyQIVPEBDWUCUOPA-UHFFFAOYSA-N
XLogP1.80
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide?
The IUPAC name of 8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide (CID 13180270) is 8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide.
What is the SMILES notation for 8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide?
The canonical SMILES for 8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide is CN(C)S(=O)(=O)c1cccc2cccc(O)c12.
What is the InChIKey of 8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide?
The InChIKey is QIVPEBDWUCUOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3S/c1-13(2)17(15,16)11-8-4-6-9-5-3-7-10(14)12(9)11/h3-8,14H,1-2H3.
What are the key properties of 8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide?
8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide has a molecular weight of 251.31 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-N,N-dimethylnaphthalene-1-sulfonamide is sourced from PubChem (CID 13180270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).