1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride

C20H12Cl2O4S2 — CID 46928604

IUPAC1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2ccccc2c1-c1c(S(=O)(=O)Cl)ccc2ccccc12
InChIInChI=1S/C20H12Cl2O4S2/c21-27(23,24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)28(22,25)26/h1-12H
InChIKeyLPHLPJZENXUTJT-UHFFFAOYSA-N
MW451.35 g/mol
LogP5.51
Rot. Bonds3

About 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride

1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride (PubChem CID 46928604) has the molecular formula C20H12Cl2O4S2 and a molecular weight of 451.35 g/mol. Its IUPAC name is 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride
PubChem CID46928604
Molecular FormulaC20H12Cl2O4S2
Molecular Weight451.35 g/mol
Exact Mass449.96
IUPAC Name1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride
SMILESO=S(=O)(Cl)c1ccc2ccccc2c1-c1c(S(=O)(=O)Cl)ccc2ccccc12
InChIInChI=1S/C20H12Cl2O4S2/c21-27(23,24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)28(22,25)26/h1-12H
InChIKeyLPHLPJZENXUTJT-UHFFFAOYSA-N
XLogP5.51
TPSA68.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.35
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride?
The IUPAC name of 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride (CID 46928604) is 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride.
What is the SMILES notation for 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride?
The canonical SMILES for 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride is O=S(=O)(Cl)c1ccc2ccccc2c1-c1c(S(=O)(=O)Cl)ccc2ccccc12.
What is the InChIKey of 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride?
The InChIKey is LPHLPJZENXUTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2O4S2/c21-27(23,24)17-11-9-13-5-1-3-7-15(13)19(17)20-16-8-4-2-6-14(16)10-12-18(20)28(22,25)26/h1-12H.
What are the key properties of 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride?
1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride has a molecular weight of 451.35 g/mol, XLogP of 5.51, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorosulfonylnaphthalen-1-yl)naphthalene-2-sulfonyl chloride is sourced from PubChem (CID 46928604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).