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

C23H21N3O3S — CID 15227625

IUPACN-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H21N3O3S/c27-30(28,23-9-8-18-4-1-2-5-19(18)16-23)26-21-6-3-7-22(17-21)29-15-14-25-20-10-12-24-13-11-20/h1-13,16-17,26H,14-15H2,(H,24,25)
InChIKeyABSCVYAEKFIXFO-UHFFFAOYSA-N
MW419.51 g/mol
LogP4.53
Rot. Bonds8

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

N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide (PubChem CID 15227625) has the molecular formula C23H21N3O3S and a molecular weight of 419.51 g/mol. Its IUPAC name is N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide
PubChem CID15227625
Molecular FormulaC23H21N3O3S
Molecular Weight419.51 g/mol
Exact Mass419.13
IUPAC NameN-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide
SMILESO=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2ccccc2c1
InChIInChI=1S/C23H21N3O3S/c27-30(28,23-9-8-18-4-1-2-5-19(18)16-23)26-21-6-3-7-22(17-21)29-15-14-25-20-10-12-24-13-11-20/h1-13,16-17,26H,14-15H2,(H,24,25)
InChIKeyABSCVYAEKFIXFO-UHFFFAOYSA-N
XLogP4.53
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 54.53
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]naphthalene-2-sulfonamide?
The IUPAC name of N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide (CID 15227625) is N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide.
What is the SMILES notation for N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide?
The canonical SMILES for N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide is O=S(=O)(Nc1cccc(OCCNc2ccncc2)c1)c1ccc2ccccc2c1.
What is the InChIKey of N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide?
The InChIKey is ABSCVYAEKFIXFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O3S/c27-30(28,23-9-8-18-4-1-2-5-19(18)16-23)26-21-6-3-7-22(17-21)29-15-14-25-20-10-12-24-13-11-20/h1-13,16-17,26H,14-15H2,(H,24,25).
What are the key properties of N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide?
N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]naphthalene-2-sulfonamide has a molecular weight of 419.51 g/mol, XLogP of 4.53, 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]naphthalene-2-sulfonamide is sourced from PubChem (CID 15227625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).