naphthalene-1,2,3-trisulfonyl chloride

C10H5Cl3O6S3 — CID 22598894

IUPACnaphthalene-1,2,3-trisulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2ccccc2c(S(=O)(=O)Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H5Cl3O6S3/c11-20(14,15)8-5-6-3-1-2-4-7(6)9(21(12,16)17)10(8)22(13,18)19/h1-5H
InChIKeyLVDBKHCYVASMLO-UHFFFAOYSA-N
MW423.70 g/mol
LogP2.62
Rot. Bonds3

About naphthalene-1,2,3-trisulfonyl chloride

naphthalene-1,2,3-trisulfonyl chloride (PubChem CID 22598894) has the molecular formula C10H5Cl3O6S3 and a molecular weight of 423.70 g/mol. Its IUPAC name is naphthalene-1,2,3-trisulfonyl chloride.

Molecular Properties

Compound Namenaphthalene-1,2,3-trisulfonyl chloride
PubChem CID22598894
Molecular FormulaC10H5Cl3O6S3
Molecular Weight423.70 g/mol
Exact Mass421.83
IUPAC Namenaphthalene-1,2,3-trisulfonyl chloride
SMILESO=S(=O)(Cl)c1cc2ccccc2c(S(=O)(=O)Cl)c1S(=O)(=O)Cl
InChIInChI=1S/C10H5Cl3O6S3/c11-20(14,15)8-5-6-3-1-2-4-7(6)9(21(12,16)17)10(8)22(13,18)19/h1-5H
InChIKeyLVDBKHCYVASMLO-UHFFFAOYSA-N
XLogP2.62
TPSA102.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.70
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of naphthalene-1,2,3-trisulfonyl chloride?
The IUPAC name of naphthalene-1,2,3-trisulfonyl chloride (CID 22598894) is naphthalene-1,2,3-trisulfonyl chloride.
What is the SMILES notation for naphthalene-1,2,3-trisulfonyl chloride?
The canonical SMILES for naphthalene-1,2,3-trisulfonyl chloride is O=S(=O)(Cl)c1cc2ccccc2c(S(=O)(=O)Cl)c1S(=O)(=O)Cl.
What is the InChIKey of naphthalene-1,2,3-trisulfonyl chloride?
The InChIKey is LVDBKHCYVASMLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3O6S3/c11-20(14,15)8-5-6-3-1-2-4-7(6)9(21(12,16)17)10(8)22(13,18)19/h1-5H.
What are the key properties of naphthalene-1,2,3-trisulfonyl chloride?
naphthalene-1,2,3-trisulfonyl chloride has a molecular weight of 423.70 g/mol, XLogP of 2.62, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalene-1,2,3-trisulfonyl chloride is sourced from PubChem (CID 22598894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).