N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide

C16H15NO4S — CID 162400034

IUPACN-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc2ccccc2c1)C1=COCCC1
InChIInChI=1S/C16H15NO4S/c18-16(14-6-3-9-21-11-14)17-22(19,20)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,17,18)
InChIKeyPOUZITRYOVQBOA-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.34
Rot. Bonds3

About N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide

N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 162400034) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID162400034
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC NameN-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(NS(=O)(=O)c1ccc2ccccc2c1)C1=COCCC1
InChIInChI=1S/C16H15NO4S/c18-16(14-6-3-9-21-11-14)17-22(19,20)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,17,18)
InChIKeyPOUZITRYOVQBOA-UHFFFAOYSA-N
XLogP2.34
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 162400034) is N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide is O=C(NS(=O)(=O)c1ccc2ccccc2c1)C1=COCCC1.
What is the InChIKey of N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is POUZITRYOVQBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c18-16(14-6-3-9-21-11-14)17-22(19,20)15-8-7-12-4-1-2-5-13(12)10-15/h1-2,4-5,7-8,10-11H,3,6,9H2,(H,17,18).
What are the key properties of N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 162400034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).