N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide

C17H16N4O3S — CID 141461668

IUPACN-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc(N)nc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N4O3S/c1-24-17-15(21-25(22,23)14-5-3-2-4-6-14)9-13(11-20-17)12-7-8-16(18)19-10-12/h2-11,21H,1H3,(H2,18,19)
InChIKeyXSIWPNBUXIIUPF-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.54
Rot. Bonds5

About N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide

N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide (PubChem CID 141461668) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
PubChem CID141461668
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC NameN-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide
SMILESCOc1ncc(-c2ccc(N)nc2)cc1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H16N4O3S/c1-24-17-15(21-25(22,23)14-5-3-2-4-6-14)9-13(11-20-17)12-7-8-16(18)19-10-12/h2-11,21H,1H3,(H2,18,19)
InChIKeyXSIWPNBUXIIUPF-UHFFFAOYSA-N
XLogP2.54
TPSA107.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The IUPAC name of N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide (CID 141461668) is N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide.
What is the SMILES notation for N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The canonical SMILES for N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide is COc1ncc(-c2ccc(N)nc2)cc1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
The InChIKey is XSIWPNBUXIIUPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c1-24-17-15(21-25(22,23)14-5-3-2-4-6-14)9-13(11-20-17)12-7-8-16(18)19-10-12/h2-11,21H,1H3,(H2,18,19).
What are the key properties of N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide?
N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide has a molecular weight of 356.41 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-amino-3-pyridinyl)-2-methoxy-3-pyridinyl]benzenesulfonamide is sourced from PubChem (CID 141461668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).