N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide

C16H15NO4S — CID 162400033

IUPACN-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2ccccc12)C1=COCCC1
InChIInChI=1S/C16H15NO4S/c18-16(13-7-4-10-21-11-13)17-22(19,20)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,11H,4,7,10H2,(H,17,18)
InChIKeyNAXQAFSBMCPKIS-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.34
Rot. Bonds3

About N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide

N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 162400033) has the molecular formula C16H15NO4S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID162400033
Molecular FormulaC16H15NO4S
Molecular Weight317.37 g/mol
Exact Mass317.07
IUPAC NameN-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(NS(=O)(=O)c1cccc2ccccc12)C1=COCCC1
InChIInChI=1S/C16H15NO4S/c18-16(13-7-4-10-21-11-13)17-22(19,20)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,11H,4,7,10H2,(H,17,18)
InChIKeyNAXQAFSBMCPKIS-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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Related Compounds

N-naphthalen-2-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
CID 162400034
2-methyl-N-naphthalen-1-ylsulfonylprop-2-enamide
CID 70189400
1-(methoxymethyl)-N-naphthalen-1-ylsulfonylcyclobutane-1-carboxamide
CID 119052957

Frequently Asked Questions

What is the IUPAC name of N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 162400033) is N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide is O=C(NS(=O)(=O)c1cccc2ccccc12)C1=COCCC1.
What is the InChIKey of N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is NAXQAFSBMCPKIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO4S/c18-16(13-7-4-10-21-11-13)17-22(19,20)15-9-3-6-12-5-1-2-8-14(12)15/h1-3,5-6,8-9,11H,4,7,10H2,(H,17,18).
What are the key properties of N-naphthalen-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-naphthalen-1-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-1-ylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 162400033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).