2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide

C14H17N3O3S — CID 60859341

IUPAC2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cccnc1OC
InChIInChI=1S/C14H17N3O3S/c1-15-21(18,19)13-8-4-3-7-12(13)17-10-11-6-5-9-16-14(11)20-2/h3-9,15,17H,10H2,1-2H3
InChIKeyRDAROYFATNBPHQ-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.61
Rot. Bonds6

About 2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide

2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 60859341) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID60859341
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1cccnc1OC
InChIInChI=1S/C14H17N3O3S/c1-15-21(18,19)13-8-4-3-7-12(13)17-10-11-6-5-9-16-14(11)20-2/h3-9,15,17H,10H2,1-2H3
InChIKeyRDAROYFATNBPHQ-UHFFFAOYSA-N
XLogP1.61
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 62995922
2-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-3-methylaniline
CID 114254628
N-[(2-methoxy-3-pyridinyl)methyl]-1-phenylmethanesulfonamide
CID 35389696
3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
CID 167917867
3-fluoro-4-[(2-methoxy-3-pyridinyl)methylamino]benzenesulfonamide
CID 60733892
N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62994869
2-(methoxyamino)-N-methylbenzenesulfonamide
CID 23002402
3-bromo-N-[(2-methoxy-3-pyridinyl)methyl]pyridin-4-amine
CID 104776820
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-N-methylbenzenesulfonamide
CID 83089797
5-bromo-4-fluoro-N-[(2-methoxy-3-pyridinyl)methyl]-2-methylaniline
CID 107591882
2-chloro-6-[(2-methoxy-3-pyridinyl)methylamino]benzonitrile
CID 60733884
2-(2-methoxyethylamino)-N-methylbenzenesulfonamide
CID 43454289

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide (CID 60859341) is 2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCc1cccnc1OC.
What is the InChIKey of 2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is RDAROYFATNBPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-15-21(18,19)13-8-4-3-7-12(13)17-10-11-6-5-9-16-14(11)20-2/h3-9,15,17H,10H2,1-2H3.
What are the key properties of 2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 60859341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).