N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide

C19H19N3O3S — CID 15228005

IUPACN-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(OCCNc2ccncc2)c1
InChIInChI=1S/C19H19N3O3S/c23-26(24,22-17-5-2-1-3-6-17)19-8-4-7-18(15-19)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
InChIKeyWMXDUMMKAXHXCU-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.37
Rot. Bonds8

About N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide

N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide (PubChem CID 15228005) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide.

Molecular Properties

Compound NameN-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide
PubChem CID15228005
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cccc(OCCNc2ccncc2)c1
InChIInChI=1S/C19H19N3O3S/c23-26(24,22-17-5-2-1-3-6-17)19-8-4-7-18(15-19)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
InChIKeyWMXDUMMKAXHXCU-UHFFFAOYSA-N
XLogP3.37
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide?
The IUPAC name of N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide (CID 15228005) is N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide.
What is the SMILES notation for N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide?
The canonical SMILES for N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide is O=S(=O)(Nc1ccccc1)c1cccc(OCCNc2ccncc2)c1.
What is the InChIKey of N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide?
The InChIKey is WMXDUMMKAXHXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-26(24,22-17-5-2-1-3-6-17)19-8-4-7-18(15-19)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21).
What are the key properties of N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide?
N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide has a molecular weight of 369.45 g/mol, XLogP of 3.37, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyl-3-[2-(pyridin-4-ylamino)ethoxy]benzenesulfonamide is sourced from PubChem (CID 15228005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).