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

C12H13N3O3S — CID 13384040

IUPAC4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide
SMILESCOc1cccnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H13N3O3S/c1-18-11-3-2-8-14-12(11)15-19(16,17)10-6-4-9(13)5-7-10/h2-8H,13H2,1H3,(H,14,15)
InChIKeyKBTKERPMTVZAPO-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.47
Rot. Bonds4

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

4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide (PubChem CID 13384040) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is 4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide
PubChem CID13384040
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC Name4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide
SMILESCOc1cccnc1NS(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C12H13N3O3S/c1-18-11-3-2-8-14-12(11)15-19(16,17)10-6-4-9(13)5-7-10/h2-8H,13H2,1H3,(H,14,15)
InChIKeyKBTKERPMTVZAPO-UHFFFAOYSA-N
XLogP1.47
TPSA94.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide (CID 13384040) is 4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide is COc1cccnc1NS(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide?
The InChIKey is KBTKERPMTVZAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-18-11-3-2-8-14-12(11)15-19(16,17)10-6-4-9(13)5-7-10/h2-8H,13H2,1H3,(H,14,15).
What are the key properties of 4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide?
4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(3-methoxy-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 13384040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).