5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

C13H15N3O3S — CID 29273557

IUPAC5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C13H15N3O3S/c1-19-12-6-5-10(14)8-13(12)20(17,18)16-9-11-4-2-3-7-15-11/h2-8,16H,9,14H2,1H3
InChIKeyWSYJTWJMCBQDGA-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.15
Rot. Bonds5

About 5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide

5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 29273557) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is 5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID29273557
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC Name5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
SMILESCOc1ccc(N)cc1S(=O)(=O)NCc1ccccn1
InChIInChI=1S/C13H15N3O3S/c1-19-12-6-5-10(14)8-13(12)20(17,18)16-9-11-4-2-3-7-15-11/h2-8,16H,9,14H2,1H3
InChIKeyWSYJTWJMCBQDGA-UHFFFAOYSA-N
XLogP1.15
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.15
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

5-(aminomethyl)-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 28717822
5-amino-2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzenesulfonamide
CID 63829495
5-amino-2-methoxy-N-(1H-pyrazol-5-ylmethyl)benzenesulfonamide
CID 61285259
4-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 3663787
3-amino-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 16795667
5-bromo-2-methoxy-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 25048330
5-[(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)methyl]-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 20923094
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methoxybenzenesulfonamide
CID 106368983
5-amino-N-[2-(methanesulfonamido)ethyl]-2-methoxybenzenesulfonamide
CID 43545898
5-amino-2-methoxy-N-prop-2-ynylbenzenesulfonamide
CID 61113453
5-amino-2-methoxy-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61459711
5-amino-2-methoxy-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 29033942

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide (CID 29273557) is 5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is COc1ccc(N)cc1S(=O)(=O)NCc1ccccn1.
What is the InChIKey of 5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is WSYJTWJMCBQDGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-19-12-6-5-10(14)8-13(12)20(17,18)16-9-11-4-2-3-7-15-11/h2-8,16H,9,14H2,1H3.
What are the key properties of 5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide?
5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.15, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methoxy-N-(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 29273557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).