ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate

C19H16N2O6S — CID 67749124

IUPACethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C19H16N2O6S/c1-2-26-19(23)27-17-10-8-15(12-20-17)18(22)21-28(24,25)16-9-7-13-5-3-4-6-14(13)11-16/h3-12H,2H2,1H3,(H,21,22)
InChIKeyQWLHIVCCDCUDHK-UHFFFAOYSA-N
MW400.41 g/mol
LogP2.89
Rot. Bonds5

About ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate

ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate (PubChem CID 67749124) has the molecular formula C19H16N2O6S and a molecular weight of 400.41 g/mol. Its IUPAC name is ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate.

Molecular Properties

Compound Nameethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate
PubChem CID67749124
Molecular FormulaC19H16N2O6S
Molecular Weight400.41 g/mol
Exact Mass400.07
IUPAC Nameethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate
SMILESCCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc3ccccc3c2)cn1
InChIInChI=1S/C19H16N2O6S/c1-2-26-19(23)27-17-10-8-15(12-20-17)18(22)21-28(24,25)16-9-7-13-5-3-4-6-14(13)11-16/h3-12H,2H2,1H3,(H,21,22)
InChIKeyQWLHIVCCDCUDHK-UHFFFAOYSA-N
XLogP2.89
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate?
The IUPAC name of ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate (CID 67749124) is ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate.
What is the SMILES notation for ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate?
The canonical SMILES for ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate is CCOC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc3ccccc3c2)cn1.
What is the InChIKey of ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate?
The InChIKey is QWLHIVCCDCUDHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O6S/c1-2-26-19(23)27-17-10-8-15(12-20-17)18(22)21-28(24,25)16-9-7-13-5-3-4-6-14(13)11-16/h3-12H,2H2,1H3,(H,21,22).
What are the key properties of ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate?
ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate has a molecular weight of 400.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl [5-(naphthalen-2-ylsulfonylcarbamoyl)-2-pyridinyl] carbonate is sourced from PubChem (CID 67749124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).