4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide

C13H15N3O3S — CID 81438403

IUPAC4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ncccc2C)ccc1N
InChIInChI=1S/C13H15N3O3S/c1-9-4-3-7-15-13(9)16-20(17,18)10-5-6-11(14)12(8-10)19-2/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyYMFJUZDUTNCNQB-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.78
Rot. Bonds4

About 4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide

4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 81438403) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID81438403
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide
SMILESCOc1cc(S(=O)(=O)Nc2ncccc2C)ccc1N
InChIInChI=1S/C13H15N3O3S/c1-9-4-3-7-15-13(9)16-20(17,18)10-5-6-11(14)12(8-10)19-2/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyYMFJUZDUTNCNQB-UHFFFAOYSA-N
XLogP1.78
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-amino-3-methoxy-N-(3-methyl-2-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

4-amino-N-(2-chloro-6-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442347
4-amino-3-methoxy-N-(2-methoxyphenyl)benzenesulfonamide
CID 2330520
4-iodo-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 3792615
3-amino-N-(3-methyl-2-pyridinyl)pyridine-2-sulfonamide
CID 103303464
3-chloro-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 25043050
4-amino-3-methoxy-N-(1H-pyrazol-5-yl)benzenesulfonamide
CID 81437806
4-amino-N-(5-bromo-2-methylphenyl)-3-methoxybenzenesulfonamide
CID 81442035
4-(1-aminoethyl)-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 43095409
4-amino-3-methoxy-N-[(2-methylphenyl)methyl]benzenesulfonamide
CID 81440805
4-amino-N-(2-bromophenyl)-3-methoxybenzenesulfonamide
CID 81438669
3-bromo-N-(3-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 103943880
4-ethenyl-N-(3-methyl-2-pyridinyl)benzenesulfonamide
CID 19423365

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide (CID 81438403) is 4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide is COc1cc(S(=O)(=O)Nc2ncccc2C)ccc1N.
What is the InChIKey of 4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is YMFJUZDUTNCNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-4-3-7-15-13(9)16-20(17,18)10-5-6-11(14)12(8-10)19-2/h3-8H,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide?
4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.78, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methoxy-N-(3-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 81438403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).