7-hydroxynaphthalene-1,3-disulfonyl chloride

C10H6Cl2O5S2 — CID 86634467

IUPAC7-hydroxynaphthalene-1,3-disulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c2cc(O)ccc2c1
InChIInChI=1S/C10H6Cl2O5S2/c11-18(14,15)8-3-6-1-2-7(13)4-9(6)10(5-8)19(12,16)17/h1-5,13H
InChIKeyJTBNSACXBVJBIR-UHFFFAOYSA-N
MW341.19 g/mol
LogP2.40
Rot. Bonds2

About 7-hydroxynaphthalene-1,3-disulfonyl chloride

7-hydroxynaphthalene-1,3-disulfonyl chloride (PubChem CID 86634467) has the molecular formula C10H6Cl2O5S2 and a molecular weight of 341.19 g/mol. Its IUPAC name is 7-hydroxynaphthalene-1,3-disulfonyl chloride.

Molecular Properties

Compound Name7-hydroxynaphthalene-1,3-disulfonyl chloride
PubChem CID86634467
Molecular FormulaC10H6Cl2O5S2
Molecular Weight341.19 g/mol
Exact Mass339.90
IUPAC Name7-hydroxynaphthalene-1,3-disulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c2cc(O)ccc2c1
InChIInChI=1S/C10H6Cl2O5S2/c11-18(14,15)8-3-6-1-2-7(13)4-9(6)10(5-8)19(12,16)17/h1-5,13H
InChIKeyJTBNSACXBVJBIR-UHFFFAOYSA-N
XLogP2.40
TPSA88.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.19
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Naphthol-6-sulfonic acid
CID 7117
5-Hydroxynaphthalene-1-sulfonamide
CID 87031
2-Naphthol-6-sulfonic acid sodium
CID 23667648
7-Hydroxy-2-naphthalenesulfonic acid
CID 7089
2-Naphthol-3,6-disulfonic acid disodium salt
CID 8673
2-Naphthol-3,6-disulfonic acid
CID 8674
1-Naphthol-3,6-disulfonic acid
CID 43853
1-Naphthalenesulfonic acid, 5-hydroxy-
CID 67025
2-Naphthol-6,8-disulfonic acid
CID 67041
Disodium 7-hydroxynaphthalene-1,3-disulphonate
CID 70051
1-Naphthol-4-sulfonic acid
CID 6791
Potassium 6-hydroxynaphthalene-2-sulphonate
CID 23677963

Frequently Asked Questions

What is the IUPAC name of 7-hydroxynaphthalene-1,3-disulfonyl chloride?
The IUPAC name of 7-hydroxynaphthalene-1,3-disulfonyl chloride (CID 86634467) is 7-hydroxynaphthalene-1,3-disulfonyl chloride.
What is the SMILES notation for 7-hydroxynaphthalene-1,3-disulfonyl chloride?
The canonical SMILES for 7-hydroxynaphthalene-1,3-disulfonyl chloride is O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c2cc(O)ccc2c1.
What is the InChIKey of 7-hydroxynaphthalene-1,3-disulfonyl chloride?
The InChIKey is JTBNSACXBVJBIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2O5S2/c11-18(14,15)8-3-6-1-2-7(13)4-9(6)10(5-8)19(12,16)17/h1-5,13H.
What are the key properties of 7-hydroxynaphthalene-1,3-disulfonyl chloride?
7-hydroxynaphthalene-1,3-disulfonyl chloride has a molecular weight of 341.19 g/mol, XLogP of 2.40, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxynaphthalene-1,3-disulfonyl chloride is sourced from PubChem (CID 86634467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).