N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide

C13H15NO4S — CID 162400164

IUPACN-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccccc1)C1=COCCC1
InChIInChI=1S/C13H15NO4S/c15-13(12-7-4-8-18-9-12)14-19(16,17)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,14,15)
InChIKeyMWCFSQJLNUOEAM-UHFFFAOYSA-N
MW281.33 g/mol
LogP1.33
Rot. Bonds4

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

N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide (PubChem CID 162400164) has the molecular formula C13H15NO4S and a molecular weight of 281.33 g/mol. Its IUPAC name is N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide.

Molecular Properties

Compound NameN-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
PubChem CID162400164
Molecular FormulaC13H15NO4S
Molecular Weight281.33 g/mol
Exact Mass281.07
IUPAC NameN-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide
SMILESO=C(NS(=O)(=O)Cc1ccccc1)C1=COCCC1
InChIInChI=1S/C13H15NO4S/c15-13(12-7-4-8-18-9-12)14-19(16,17)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,14,15)
InChIKeyMWCFSQJLNUOEAM-UHFFFAOYSA-N
XLogP1.33
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
The IUPAC name of N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide (CID 162400164) is N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide.
What is the SMILES notation for N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
The canonical SMILES for N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide is O=C(NS(=O)(=O)Cc1ccccc1)C1=COCCC1.
What is the InChIKey of N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
The InChIKey is MWCFSQJLNUOEAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4S/c15-13(12-7-4-8-18-9-12)14-19(16,17)10-11-5-2-1-3-6-11/h1-3,5-6,9H,4,7-8,10H2,(H,14,15).
What are the key properties of N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide?
N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide has a molecular weight of 281.33 g/mol, XLogP of 1.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylsulfonyl-3,4-dihydro-2H-pyran-5-carboxamide is sourced from PubChem (CID 162400164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).