1-chloro-7-methyl-6-methylsulfonylnaphthalene

C12H11ClO2S — CID 20773091

IUPAC1-chloro-7-methyl-6-methylsulfonylnaphthalene
SMILESCc1cc2c(Cl)cccc2cc1S(C)(=O)=O
InChIInChI=1S/C12H11ClO2S/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15/h3-7H,1-2H3
InChIKeySKRQXOZLGJKVAS-UHFFFAOYSA-N
MW254.74 g/mol
LogP3.21
Rot. Bonds1

About 1-chloro-7-methyl-6-methylsulfonylnaphthalene

1-chloro-7-methyl-6-methylsulfonylnaphthalene (PubChem CID 20773091) has the molecular formula C12H11ClO2S and a molecular weight of 254.74 g/mol. Its IUPAC name is 1-chloro-7-methyl-6-methylsulfonylnaphthalene.

Molecular Properties

Compound Name1-chloro-7-methyl-6-methylsulfonylnaphthalene
PubChem CID20773091
Molecular FormulaC12H11ClO2S
Molecular Weight254.74 g/mol
Exact Mass254.02
IUPAC Name1-chloro-7-methyl-6-methylsulfonylnaphthalene
SMILESCc1cc2c(Cl)cccc2cc1S(C)(=O)=O
InChIInChI=1S/C12H11ClO2S/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15/h3-7H,1-2H3
InChIKeySKRQXOZLGJKVAS-UHFFFAOYSA-N
XLogP3.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.74
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-7-methyl-6-methylsulfonylnaphthalene?
The IUPAC name of 1-chloro-7-methyl-6-methylsulfonylnaphthalene (CID 20773091) is 1-chloro-7-methyl-6-methylsulfonylnaphthalene.
What is the SMILES notation for 1-chloro-7-methyl-6-methylsulfonylnaphthalene?
The canonical SMILES for 1-chloro-7-methyl-6-methylsulfonylnaphthalene is Cc1cc2c(Cl)cccc2cc1S(C)(=O)=O.
What is the InChIKey of 1-chloro-7-methyl-6-methylsulfonylnaphthalene?
The InChIKey is SKRQXOZLGJKVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClO2S/c1-8-6-10-9(4-3-5-11(10)13)7-12(8)16(2,14)15/h3-7H,1-2H3.
What are the key properties of 1-chloro-7-methyl-6-methylsulfonylnaphthalene?
1-chloro-7-methyl-6-methylsulfonylnaphthalene has a molecular weight of 254.74 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-7-methyl-6-methylsulfonylnaphthalene is sourced from PubChem (CID 20773091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).