N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide

C13H15N3O3S — CID 53185048

IUPACN-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCOc1ncccc1CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C13H15N3O3S/c1-16(10-11-5-3-8-15-13(11)19-2)20(17,18)12-6-4-7-14-9-12/h3-9H,10H2,1-2H3
InChIKeyBRXHUQWXHSCIAY-UHFFFAOYSA-N
MW293.35 g/mol
LogP1.31
Rot. Bonds5

About N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide

N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide (PubChem CID 53185048) has the molecular formula C13H15N3O3S and a molecular weight of 293.35 g/mol. Its IUPAC name is N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide.

Molecular Properties

Compound NameN-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide
PubChem CID53185048
Molecular FormulaC13H15N3O3S
Molecular Weight293.35 g/mol
Exact Mass293.08
IUPAC NameN-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide
SMILESCOc1ncccc1CN(C)S(=O)(=O)c1cccnc1
InChIInChI=1S/C13H15N3O3S/c1-16(10-11-5-3-8-15-13(11)19-2)20(17,18)12-6-4-7-14-9-12/h3-9H,10H2,1-2H3
InChIKeyBRXHUQWXHSCIAY-UHFFFAOYSA-N
XLogP1.31
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide?
The IUPAC name of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide (CID 53185048) is N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide.
What is the SMILES notation for N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide?
The canonical SMILES for N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide is COc1ncccc1CN(C)S(=O)(=O)c1cccnc1.
What is the InChIKey of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide?
The InChIKey is BRXHUQWXHSCIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S/c1-16(10-11-5-3-8-15-13(11)19-2)20(17,18)12-6-4-7-14-9-12/h3-9H,10H2,1-2H3.
What are the key properties of N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide?
N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide has a molecular weight of 293.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-3-pyridinyl)methyl]-N-methylpyridine-3-sulfonamide is sourced from PubChem (CID 53185048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).