naphthalen-2-yl imidazole-1-sulfonate

C13H10N2O3S — CID 42604972

IUPACnaphthalen-2-yl imidazole-1-sulfonate
SMILESO=S(=O)(Oc1ccc2ccccc2c1)n1ccnc1
InChIInChI=1S/C13H10N2O3S/c16-19(17,15-8-7-14-10-15)18-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyDAHSFLGBJBJAGU-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.21
Rot. Bonds3

About naphthalen-2-yl imidazole-1-sulfonate

naphthalen-2-yl imidazole-1-sulfonate (PubChem CID 42604972) has the molecular formula C13H10N2O3S and a molecular weight of 274.30 g/mol. Its IUPAC name is naphthalen-2-yl imidazole-1-sulfonate.

Molecular Properties

Compound Namenaphthalen-2-yl imidazole-1-sulfonate
PubChem CID42604972
Molecular FormulaC13H10N2O3S
Molecular Weight274.30 g/mol
Exact Mass274.04
IUPAC Namenaphthalen-2-yl imidazole-1-sulfonate
SMILESO=S(=O)(Oc1ccc2ccccc2c1)n1ccnc1
InChIInChI=1S/C13H10N2O3S/c16-19(17,15-8-7-14-10-15)18-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H
InChIKeyDAHSFLGBJBJAGU-UHFFFAOYSA-N
XLogP2.21
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of naphthalen-2-yl imidazole-1-sulfonate?
The IUPAC name of naphthalen-2-yl imidazole-1-sulfonate (CID 42604972) is naphthalen-2-yl imidazole-1-sulfonate.
What is the SMILES notation for naphthalen-2-yl imidazole-1-sulfonate?
The canonical SMILES for naphthalen-2-yl imidazole-1-sulfonate is O=S(=O)(Oc1ccc2ccccc2c1)n1ccnc1.
What is the InChIKey of naphthalen-2-yl imidazole-1-sulfonate?
The InChIKey is DAHSFLGBJBJAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O3S/c16-19(17,15-8-7-14-10-15)18-13-6-5-11-3-1-2-4-12(11)9-13/h1-10H.
What are the key properties of naphthalen-2-yl imidazole-1-sulfonate?
naphthalen-2-yl imidazole-1-sulfonate has a molecular weight of 274.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-2-yl imidazole-1-sulfonate is sourced from PubChem (CID 42604972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).