4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide

C14H17N3O3S — CID 43524291

IUPAC4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C14H17N3O3S/c1-10(12-5-3-4-8-16-12)17-21(18,19)14-7-6-11(15)9-13(14)20-2/h3-10,17H,15H2,1-2H3
InChIKeyDMHIHWFIBYAILM-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.71
Rot. Bonds5

About 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide

4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide (PubChem CID 43524291) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
PubChem CID43524291
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
SMILESCOc1cc(N)ccc1S(=O)(=O)NC(C)c1ccccn1
InChIInChI=1S/C14H17N3O3S/c1-10(12-5-3-4-8-16-12)17-21(18,19)14-7-6-11(15)9-13(14)20-2/h3-10,17H,15H2,1-2H3
InChIKeyDMHIHWFIBYAILM-UHFFFAOYSA-N
XLogP1.71
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)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

2,4-dimethoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 110724455
4-amino-2-methoxy-N-[(1R)-1-pyridin-2-ylethyl]benzamide
CID 107207958
4-amino-2-methoxy-N-[1-(1H-pyrazol-4-yl)ethyl]benzenesulfonamide
CID 106208333
5-amino-4-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 114625101
4-amino-N-(3-chloro-2-pyridinyl)-2-methoxybenzenesulfonamide
CID 103093928
4-amino-2-methoxy-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]benzenesulfonamide
CID 62056450
5-bromo-2-methyl-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 17410002
4-amino-2-methoxy-N-pentan-3-ylbenzenesulfonamide
CID 43257004
2-bromo-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 46799998
N-(1-pyridin-2-ylethyl)methanesulfonamide
CID 60681407
4-amino-N-(1-cyclopropylethyl)-2-methoxybenzenesulfonamide
CID 43533120
3-amino-5-chloro-2-fluoro-N-(1-pyridin-2-ylethyl)benzenesulfonamide
CID 103050583

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The IUPAC name of 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide (CID 43524291) is 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide is COc1cc(N)ccc1S(=O)(=O)NC(C)c1ccccn1.
What is the InChIKey of 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
The InChIKey is DMHIHWFIBYAILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10(12-5-3-4-8-16-12)17-21(18,19)14-7-6-11(15)9-13(14)20-2/h3-10,17H,15H2,1-2H3.
What are the key properties of 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide?
4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-(1-pyridin-2-ylethyl)benzenesulfonamide is sourced from PubChem (CID 43524291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).