3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C13H15N3O3S — CID 107584520

IUPAC3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(C)c2)cc1N
InChIInChI=1S/C13H15N3O3S/c1-9-5-10(8-15-7-9)16-20(17,18)11-3-4-13(19-2)12(14)6-11/h3-8,16H,14H2,1-2H3
InChIKeyGXFOTYZVVXKJAT-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.78
Rot. Bonds4

About 3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide

3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 107584520) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID107584520
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2cncc(C)c2)cc1N
InChIInChI=1S/C13H15N3O3S/c1-9-5-10(8-15-7-9)16-20(17,18)11-3-4-13(19-2)12(14)6-11/h3-8,16H,14H2,1-2H3
InChIKeyGXFOTYZVVXKJAT-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'}

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Related Compounds

3-amino-4-methoxy-N-pyridin-3-ylbenzenesulfonamide
CID 29275645
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526
3-amino-4-methoxy-N-(4-methyl-1H-pyrazol-5-yl)benzenesulfonamide
CID 104617179
3,4-dichloro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727340
3-amino-N-(3-fluoro-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 28536732
5-chloro-2-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 110727388
3-amino-4-methoxy-N-(4-methylsulfanylphenyl)benzenesulfonamide
CID 28528828
4-hydroxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107585953
N-(3-amino-4-methoxyphenyl)-4-bromobenzenesulfonamide
CID 43604638
3-amino-N-(3-hydroxyphenyl)-4-methoxybenzenesulfonamide
CID 61168280
3-amino-N-(3-fluoro-4-pyridinyl)-4-methoxybenzenesulfonamide
CID 107594685
N-(3-amino-4-methylphenyl)-4-methoxy-3-methylbenzenesulfonamide
CID 39439923

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 107584520) is 3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2cncc(C)c2)cc1N.
What is the InChIKey of 3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is GXFOTYZVVXKJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-9-5-10(8-15-7-9)16-20(17,18)11-3-4-13(19-2)12(14)6-11/h3-8,16H,14H2,1-2H3.
What are the key properties of 3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
3-amino-4-methoxy-N-(5-methyl-3-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 3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107584520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).