N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

C17H18N2O4S — CID 155534269

IUPACN-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(C2=CCOCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-22-17-16(19-24(20,21)15-5-3-2-4-6-15)11-14(12-18-17)13-7-9-23-10-8-13/h2-7,11-12,19H,8-10H2,1H3
InChIKeyOZEVUWLUKNYTLV-UHFFFAOYSA-N
MW346.41 g/mol
LogP2.69
Rot. Bonds5

About N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide

N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 155534269) has the molecular formula C17H18N2O4S and a molecular weight of 346.41 g/mol. Its IUPAC name is N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID155534269
Molecular FormulaC17H18N2O4S
Molecular Weight346.41 g/mol
Exact Mass346.10
IUPAC NameN-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(C2=CCOCC2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18N2O4S/c1-22-17-16(19-24(20,21)15-5-3-2-4-6-15)11-14(12-18-17)13-7-9-23-10-8-13/h2-7,11-12,19H,8-10H2,1H3
InChIKeyOZEVUWLUKNYTLV-UHFFFAOYSA-N
XLogP2.69
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide (CID 155534269) is N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is COc1ncc(C2=CCOCC2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is OZEVUWLUKNYTLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O4S/c1-22-17-16(19-24(20,21)15-5-3-2-4-6-15)11-14(12-18-17)13-7-9-23-10-8-13/h2-7,11-12,19H,8-10H2,1H3.
What are the key properties of N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide has a molecular weight of 346.41 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,6-dihydro-2H-pyran-4-yl)-2-methoxy-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 155534269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).