naphthalene-1,3,5,7-tetrasulfonyl chloride

C10H4Cl4O8S4 — CID 12899707

IUPACnaphthalene-1,3,5,7-tetrasulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c2cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c2c1
InChIInChI=1S/C10H4Cl4O8S4/c11-23(15,16)5-1-7-8(10(3-5)26(14,21)22)2-6(24(12,17)18)4-9(7)25(13,19)20/h1-4H
InChIKeyUGHRWFYEJGLVRD-UHFFFAOYSA-N
MW522.21 g/mol
LogP2.55
Rot. Bonds4

About naphthalene-1,3,5,7-tetrasulfonyl chloride

naphthalene-1,3,5,7-tetrasulfonyl chloride (PubChem CID 12899707) has the molecular formula C10H4Cl4O8S4 and a molecular weight of 522.21 g/mol. Its IUPAC name is naphthalene-1,3,5,7-tetrasulfonyl chloride.

Molecular Properties

Compound Namenaphthalene-1,3,5,7-tetrasulfonyl chloride
PubChem CID12899707
Molecular FormulaC10H4Cl4O8S4
Molecular Weight522.21 g/mol
Exact Mass519.75
IUPAC Namenaphthalene-1,3,5,7-tetrasulfonyl chloride
SMILESO=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c2cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c2c1
InChIInChI=1S/C10H4Cl4O8S4/c11-23(15,16)5-1-7-8(10(3-5)26(14,21)22)2-6(24(12,17)18)4-9(7)25(13,19)20/h1-4H
InChIKeyUGHRWFYEJGLVRD-UHFFFAOYSA-N
XLogP2.55
TPSA136.56 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500522.21
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,3,5,7-tetrasulfonyl chloride?
The IUPAC name of naphthalene-1,3,5,7-tetrasulfonyl chloride (CID 12899707) is naphthalene-1,3,5,7-tetrasulfonyl chloride.
What is the SMILES notation for naphthalene-1,3,5,7-tetrasulfonyl chloride?
The canonical SMILES for naphthalene-1,3,5,7-tetrasulfonyl chloride is O=S(=O)(Cl)c1cc(S(=O)(=O)Cl)c2cc(S(=O)(=O)Cl)cc(S(=O)(=O)Cl)c2c1.
What is the InChIKey of naphthalene-1,3,5,7-tetrasulfonyl chloride?
The InChIKey is UGHRWFYEJGLVRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl4O8S4/c11-23(15,16)5-1-7-8(10(3-5)26(14,21)22)2-6(24(12,17)18)4-9(7)25(13,19)20/h1-4H.
What are the key properties of naphthalene-1,3,5,7-tetrasulfonyl chloride?
naphthalene-1,3,5,7-tetrasulfonyl chloride has a molecular weight of 522.21 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,3,5,7-tetrasulfonyl chloride is sourced from PubChem (CID 12899707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).