N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide

C16H20N2O3S — CID 47071871

IUPACN-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccnc1OCc1ccccc1
InChIInChI=1S/C16H20N2O3S/c1-2-11-22(19,20)18-12-15-9-6-10-17-16(15)21-13-14-7-4-3-5-8-14/h3-10,18H,2,11-13H2,1H3
InChIKeyIATKNZWYVPMVGU-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.49
Rot. Bonds8

About N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide

N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide (PubChem CID 47071871) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide
PubChem CID47071871
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)NCc1cccnc1OCc1ccccc1
InChIInChI=1S/C16H20N2O3S/c1-2-11-22(19,20)18-12-15-9-6-10-17-16(15)21-13-14-7-4-3-5-8-14/h3-10,18H,2,11-13H2,1H3
InChIKeyIATKNZWYVPMVGU-UHFFFAOYSA-N
XLogP2.49
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide?
The IUPAC name of N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide (CID 47071871) is N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide.
What is the SMILES notation for N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide?
The canonical SMILES for N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide is CCCS(=O)(=O)NCc1cccnc1OCc1ccccc1.
What is the InChIKey of N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide?
The InChIKey is IATKNZWYVPMVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-2-11-22(19,20)18-12-15-9-6-10-17-16(15)21-13-14-7-4-3-5-8-14/h3-10,18H,2,11-13H2,1H3.
What are the key properties of N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide?
N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-phenylmethoxy-3-pyridinyl)methyl]propane-1-sulfonamide is sourced from PubChem (CID 47071871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).