8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide

C12H14N2O5S2 — CID 762871

IUPAC8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide
SMILESCNS(=O)(=O)c1cc(O)c2c(S(=O)(=O)NC)cccc2c1
InChIInChI=1S/C12H14N2O5S2/c1-13-20(16,17)9-6-8-4-3-5-11(21(18,19)14-2)12(8)10(15)7-9/h3-7,13-15H,1-2H3
InChIKeyHVFCTDHBZZBQRF-UHFFFAOYSA-N
MW330.39 g/mol
LogP0.36
Rot. Bonds4

About 8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide

8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide (PubChem CID 762871) has the molecular formula C12H14N2O5S2 and a molecular weight of 330.39 g/mol. Its IUPAC name is 8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide.

Molecular Properties

Compound Name8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide
PubChem CID762871
Molecular FormulaC12H14N2O5S2
Molecular Weight330.39 g/mol
Exact Mass330.03
IUPAC Name8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide
SMILESCNS(=O)(=O)c1cc(O)c2c(S(=O)(=O)NC)cccc2c1
InChIInChI=1S/C12H14N2O5S2/c1-13-20(16,17)9-6-8-4-3-5-11(21(18,19)14-2)12(8)10(15)7-9/h3-7,13-15H,1-2H3
InChIKeyHVFCTDHBZZBQRF-UHFFFAOYSA-N
XLogP0.36
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-Naphthol-3,6-disulfonic acid
CID 43853
1-Naphthalenesulfonic acid, 5-hydroxy-
CID 67025
Chromotropic acid
CID 67221
5-Hydroxynaphthalene-1-sulfonamide
CID 87031
1-Naphthol-4-sulfonic acid
CID 6791
1,6-Naphthalenedisulfonic acid, 8-hydroxy-
CID 67019
1-Naphthalenesulfonic acid, 5-hydroxy-, sodium salt (1:?)
CID 23664362
1-Naphthol-8-sulfonic acid
CID 67015
2-Naphthalenesulfonic acid, 4-hydroxy-
CID 77389
2,7-Naphthalenedisulfonic acid, 4-hydroxy-, sodium salt (1:2)
CID 88502
Sodium 4,6-dihydroxynaphthalene-2-sulphonate
CID 5001507
Disodium 8-hydroxynaphthalene-1,6-disulphonate
CID 11970730

Frequently Asked Questions

What is the IUPAC name of 8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide?
The IUPAC name of 8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide (CID 762871) is 8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide.
What is the SMILES notation for 8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide?
The canonical SMILES for 8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide is CNS(=O)(=O)c1cc(O)c2c(S(=O)(=O)NC)cccc2c1.
What is the InChIKey of 8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide?
The InChIKey is HVFCTDHBZZBQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O5S2/c1-13-20(16,17)9-6-8-4-3-5-11(21(18,19)14-2)12(8)10(15)7-9/h3-7,13-15H,1-2H3.
What are the key properties of 8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide?
8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide has a molecular weight of 330.39 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-hydroxy-1-N,6-N-dimethylnaphthalene-1,6-disulfonamide is sourced from PubChem (CID 762871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).