naphthalen-1-ylmethanesulfonyl chloride

C11H9ClO2S — CID 16774633

IUPACnaphthalen-1-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C11H9ClO2S/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKeyFPAIRDIPBPUKSD-UHFFFAOYSA-N
MW240.71 g/mol
LogP2.91
Rot. Bonds2

About naphthalen-1-ylmethanesulfonyl chloride

naphthalen-1-ylmethanesulfonyl chloride (PubChem CID 16774633) has the molecular formula C11H9ClO2S and a molecular weight of 240.71 g/mol. Its IUPAC name is naphthalen-1-ylmethanesulfonyl chloride.

Molecular Properties

Compound Namenaphthalen-1-ylmethanesulfonyl chloride
PubChem CID16774633
Molecular FormulaC11H9ClO2S
Molecular Weight240.71 g/mol
Exact Mass240.00
IUPAC Namenaphthalen-1-ylmethanesulfonyl chloride
SMILESO=S(=O)(Cl)Cc1cccc2ccccc12
InChIInChI=1S/C11H9ClO2S/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2
InChIKeyFPAIRDIPBPUKSD-UHFFFAOYSA-N
XLogP2.91
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.71
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethanesulfonyl chloride?
The IUPAC name of naphthalen-1-ylmethanesulfonyl chloride (CID 16774633) is naphthalen-1-ylmethanesulfonyl chloride.
What is the SMILES notation for naphthalen-1-ylmethanesulfonyl chloride?
The canonical SMILES for naphthalen-1-ylmethanesulfonyl chloride is O=S(=O)(Cl)Cc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethanesulfonyl chloride?
The InChIKey is FPAIRDIPBPUKSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClO2S/c12-15(13,14)8-10-6-3-5-9-4-1-2-7-11(9)10/h1-7H,8H2.
What are the key properties of naphthalen-1-ylmethanesulfonyl chloride?
naphthalen-1-ylmethanesulfonyl chloride has a molecular weight of 240.71 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethanesulfonyl chloride is sourced from PubChem (CID 16774633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).