N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide

C14H16N2O3S — CID 11277773

IUPACN-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccncc1Oc1ccccc1
InChIInChI=1S/C14H16N2O3S/c1-2-10-20(17,18)16-13-8-9-15-11-14(13)19-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,15,16)
InChIKeyLHXILNAQPGRTDA-UHFFFAOYSA-N
MW292.36 g/mol
LogP3.03
Rot. Bonds6

About N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide

N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide (PubChem CID 11277773) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide
PubChem CID11277773
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC NameN-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccncc1Oc1ccccc1
InChIInChI=1S/C14H16N2O3S/c1-2-10-20(17,18)16-13-8-9-15-11-14(13)19-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,15,16)
InChIKeyLHXILNAQPGRTDA-UHFFFAOYSA-N
XLogP3.03
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide?
The IUPAC name of N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide (CID 11277773) is N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccncc1Oc1ccccc1.
What is the InChIKey of N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide?
The InChIKey is LHXILNAQPGRTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-2-10-20(17,18)16-13-8-9-15-11-14(13)19-12-6-4-3-5-7-12/h3-9,11H,2,10H2,1H3,(H,15,16).
What are the key properties of N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide?
N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide has a molecular weight of 292.36 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-phenoxy-4-pyridinyl)propane-1-sulfonamide is sourced from PubChem (CID 11277773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).