3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one

C13H8BrNO4S2 — CID 54410580

IUPAC3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one
SMILESO=c1scc(O)n1S(=O)(=O)c1c(Br)ccc2ccccc12
InChIInChI=1S/C13H8BrNO4S2/c14-10-6-5-8-3-1-2-4-9(8)12(10)21(18,19)15-11(16)7-20-13(15)17/h1-7,16H
InChIKeyVTVLRXARYAHNJD-UHFFFAOYSA-N
MW386.25 g/mol
LogP2.77
Rot. Bonds2

About 3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one

3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one (PubChem CID 54410580) has the molecular formula C13H8BrNO4S2 and a molecular weight of 386.25 g/mol. Its IUPAC name is 3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one.

Molecular Properties

Compound Name3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one
PubChem CID54410580
Molecular FormulaC13H8BrNO4S2
Molecular Weight386.25 g/mol
Exact Mass384.91
IUPAC Name3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one
SMILESO=c1scc(O)n1S(=O)(=O)c1c(Br)ccc2ccccc12
InChIInChI=1S/C13H8BrNO4S2/c14-10-6-5-8-3-1-2-4-9(8)12(10)21(18,19)15-11(16)7-20-13(15)17/h1-7,16H
InChIKeyVTVLRXARYAHNJD-UHFFFAOYSA-N
XLogP2.77
TPSA76.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.25
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one?
The IUPAC name of 3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one (CID 54410580) is 3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one.
What is the SMILES notation for 3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one?
The canonical SMILES for 3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one is O=c1scc(O)n1S(=O)(=O)c1c(Br)ccc2ccccc12.
What is the InChIKey of 3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one?
The InChIKey is VTVLRXARYAHNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrNO4S2/c14-10-6-5-8-3-1-2-4-9(8)12(10)21(18,19)15-11(16)7-20-13(15)17/h1-7,16H.
What are the key properties of 3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one?
3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one has a molecular weight of 386.25 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromonaphthalen-1-yl)sulfonyl-4-hydroxy-1,3-thiazol-2-one is sourced from PubChem (CID 54410580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).