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

C20H21N3O3S — CID 11811066

IUPACN-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide
SMILESCN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-23(27(24,25)20-8-3-2-4-9-20)18-6-5-7-19(16-18)26-15-14-22-17-10-12-21-13-11-17/h2-13,16H,14-15H2,1H3,(H,21,22)
InChIKeyQNSIKAKIUZRPEO-UHFFFAOYSA-N
MW383.47 g/mol
LogP3.40
Rot. Bonds8

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

N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide (PubChem CID 11811066) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide
PubChem CID11811066
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC NameN-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide
SMILESCN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H21N3O3S/c1-23(27(24,25)20-8-3-2-4-9-20)18-6-5-7-19(16-18)26-15-14-22-17-10-12-21-13-11-17/h2-13,16H,14-15H2,1H3,(H,21,22)
InChIKeyQNSIKAKIUZRPEO-UHFFFAOYSA-N
XLogP3.40
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[2-(3-Benzenesulfonylamino-5-methyl-phenoxy)-ethylamino]-pyridinium
CID 448956
4-ethoxy-N-pyridin-3-ylbenzenesulfonamide
CID 729504
N-(3-phenoxy-4-pyridinyl)ethanesulfonamide
CID 11150126
5-fluoro-2-methoxy-N-(4-pyridinyl)benzenesulfonamide
CID 850011
4-ethoxy-N-(6-methoxy-3-pyridinyl)benzenesulfonamide
CID 2424901
4-butoxy-N-pyridin-3-ylbenzenesulfonamide
CID 3239781
4-Chloro-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
CID 15227963
4-Fluoro-N-{3-[2-(pyridin-4-ylamino)-ethoxy]-phenyl}-benzenesulfonamide
CID 15227964
4-[2-(3-Benzenesulfonylamino-phenoxy)-ethylamino]-pyridinium
CID 15227967
3-Chloro-N-methyl-N-phenyl-5-[2-(pyridin-4-ylamino)-ethoxy]-benzenesulfonamide
CID 23206211
Ethanesulfonic acid (3-benzyloxy-phenyl)-pyridin-3-ylmethyl-amide
CID 23521693
Ethanesulfonic acid (3-phenoxy-phenyl)-pyridin-3-ylmethyl-amide
CID 23521709

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide?
The IUPAC name of N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide (CID 11811066) is N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide?
The canonical SMILES for N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide is CN(c1cccc(OCCNc2ccncc2)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide?
The InChIKey is QNSIKAKIUZRPEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c1-23(27(24,25)20-8-3-2-4-9-20)18-6-5-7-19(16-18)26-15-14-22-17-10-12-21-13-11-17/h2-13,16H,14-15H2,1H3,(H,21,22).
What are the key properties of N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide?
N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide has a molecular weight of 383.47 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[3-[2-(pyridin-4-ylamino)ethoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 11811066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).