N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide

C14H17N3O3S — CID 113010392

IUPACN-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C14H17N3O3S/c1-20-10-9-15-14-8-7-12(11-16-14)17-21(18,19)13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3,(H,15,16)
InChIKeyXSTJIKJCFQUXBZ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.94
Rot. Bonds7

About N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide

N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide (PubChem CID 113010392) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
PubChem CID113010392
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide
SMILESCOCCNc1ccc(NS(=O)(=O)c2ccccc2)cn1
InChIInChI=1S/C14H17N3O3S/c1-20-10-9-15-14-8-7-12(11-16-14)17-21(18,19)13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3,(H,15,16)
InChIKeyXSTJIKJCFQUXBZ-UHFFFAOYSA-N
XLogP1.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-(2-methoxyethylamino)-3-pyridinyl]-4-propan-2-ylbenzenesulfonamide
CID 113010403
N-[6-(ethylamino)-3-pyridinyl]benzenesulfonamide
CID 71038447
N-[6-(3-methoxypropylamino)-3-pyridinyl]-4-methylbenzenesulfonamide
CID 113010523
4-fluoro-N-[6-(2-methoxyethylamino)-3-pyridinyl]-3-methylbenzenesulfonamide
CID 113010405
N-[6-[3-(dimethylamino)propylamino]-3-pyridinyl]benzenesulfonamide
CID 113010994
5-bromo-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010432
5-chloro-N-[6-(2-methoxyethylamino)-3-pyridinyl]thiophene-2-sulfonamide
CID 113010420
N-[6-(2-methoxyethylamino)-3-pyridinyl]-3,5-dimethyl-1H-pyrazole-4-sulfonamide
CID 113010431
4-methoxy-N-[6-(2-methoxyethylamino)-3-pyridinyl]-2-methylbenzenesulfonamide
CID 113010409
N-[5-(2-methoxyethylamino)-2-pyridinyl]methanesulfonamide
CID 113025091
N-[5-(benzenesulfonamido)-2-pyridinyl]acetamide
CID 71056015
5-hydrazinyl-N-(2-methoxyethyl)pyridin-2-amine
CID 55281043

Frequently Asked Questions

What is the IUPAC name of N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide (CID 113010392) is N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide is COCCNc1ccc(NS(=O)(=O)c2ccccc2)cn1.
What is the InChIKey of N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide?
The InChIKey is XSTJIKJCFQUXBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-20-10-9-15-14-8-7-12(11-16-14)17-21(18,19)13-5-3-2-4-6-13/h2-8,11,17H,9-10H2,1H3,(H,15,16).
What are the key properties of N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide?
N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.94, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-methoxyethylamino)-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 113010392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).