naphthalene-2,3,6-trisulfonyl chloride

C10H5Cl3O6S3 — CID 87775954

IUPACnaphthalene-2,3,6-trisulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2cc(S(=O)(=O)Cl)c(S(=O)(=O)Cl)cc2c1
InChIInChI=1S/C10H5Cl3O6S3/c11-20(14,15)8-2-1-6-4-9(21(12,16)17)10(22(13,18)19)5-7(6)3-8/h1-5H
InChIKeyAZFNRVBTEBJNPO-UHFFFAOYSA-N
MW423.70 g/mol
LogP2.62
Rot. Bonds3

About naphthalene-2,3,6-trisulfonyl chloride

naphthalene-2,3,6-trisulfonyl chloride (PubChem CID 87775954) has the molecular formula C10H5Cl3O6S3 and a molecular weight of 423.70 g/mol. Its IUPAC name is naphthalene-2,3,6-trisulfonyl chloride.

Molecular Properties

Compound Namenaphthalene-2,3,6-trisulfonyl chloride
PubChem CID87775954
Molecular FormulaC10H5Cl3O6S3
Molecular Weight423.70 g/mol
Exact Mass421.83
IUPAC Namenaphthalene-2,3,6-trisulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2cc(S(=O)(=O)Cl)c(S(=O)(=O)Cl)cc2c1
InChIInChI=1S/C10H5Cl3O6S3/c11-20(14,15)8-2-1-6-4-9(21(12,16)17)10(22(13,18)19)5-7(6)3-8/h1-5H
InChIKeyAZFNRVBTEBJNPO-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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Related Compounds

naphthalene-2,3-disulfonyl chloride
CID 134894919
6,7-dimethoxynaphthalene-2-sulfonyl chloride
CID 14457754
7-methylnaphthalene-2-sulfonyl chloride
CID 10824001
7-methoxynaphthalene-2-sulfonyl chloride
CID 10515266
(3-acetyloxy-6-chlorosulfonylnaphthalen-2-yl) acetate
CID 19832966
7-(trifluoromethyl)naphthalene-2-sulfonyl chloride
CID 170898735
3-chloroisoquinoline-7-sulfonyl chloride
CID 22017184
naphthalene-2,3,6-trisulfonic acid
CID 42609669
4-aminobenzene-1,3-disulfonyl chloride
CID 154087966
6-cyclopropyloxynaphthalene-2-sulfonyl chloride
CID 135175255
isoquinoline-7-sulfonyl chloride
CID 22994526
7-hydroxynaphthalene-1,3-disulfonyl chloride
CID 86634467

Frequently Asked Questions

What is the IUPAC name of naphthalene-2,3,6-trisulfonyl chloride?
The IUPAC name of naphthalene-2,3,6-trisulfonyl chloride (CID 87775954) is naphthalene-2,3,6-trisulfonyl chloride.
What is the SMILES notation for naphthalene-2,3,6-trisulfonyl chloride?
The canonical SMILES for naphthalene-2,3,6-trisulfonyl chloride is O=S(=O)(Cl)c1ccc2cc(S(=O)(=O)Cl)c(S(=O)(=O)Cl)cc2c1.
What is the InChIKey of naphthalene-2,3,6-trisulfonyl chloride?
The InChIKey is AZFNRVBTEBJNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5Cl3O6S3/c11-20(14,15)8-2-1-6-4-9(21(12,16)17)10(22(13,18)19)5-7(6)3-8/h1-5H.
What are the key properties of naphthalene-2,3,6-trisulfonyl chloride?
naphthalene-2,3,6-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-2,3,6-trisulfonyl chloride is sourced from PubChem (CID 87775954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).