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

C19H19N3O3S — CID 15227967

IUPACN-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
InChIKeyQHNMEYRLLYBYGG-UHFFFAOYSA-N
MW369.45 g/mol
LogP3.37
Rot. Bonds8

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

N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide (PubChem CID 15227967) has the molecular formula C19H19N3O3S and a molecular weight of 369.45 g/mol. Its IUPAC name is N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide
PubChem CID15227967
Molecular FormulaC19H19N3O3S
Molecular Weight369.45 g/mol
Exact Mass369.11
IUPAC NameN-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1
InChIInChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)25-14-13-21-16-9-11-20-12-10-16/h1-12,15,22H,13-14H2,(H,20,21)
InChIKeyQHNMEYRLLYBYGG-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-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide?
The IUPAC name of N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide (CID 15227967) is N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide?
The canonical SMILES for N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccccc1.
What is the InChIKey of N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide?
The InChIKey is QHNMEYRLLYBYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S/c23-26(24,19-7-2-1-3-8-19)22-17-5-4-6-18(15-17)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-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide?
N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]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-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 15227967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).