2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide

C14H17N3O3S — CID 62995922

IUPAC2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1ccnc(OC)c1
InChIInChI=1S/C14H17N3O3S/c1-15-21(18,19)13-6-4-3-5-12(13)17-10-11-7-8-16-14(9-11)20-2/h3-9,15,17H,10H2,1-2H3
InChIKeyHNHWNGALCKNXBP-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.61
Rot. Bonds6

About 2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide

2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide (PubChem CID 62995922) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide
PubChem CID62995922
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1NCc1ccnc(OC)c1
InChIInChI=1S/C14H17N3O3S/c1-15-21(18,19)13-6-4-3-5-12(13)17-10-11-7-8-16-14(9-11)20-2/h3-9,15,17H,10H2,1-2H3
InChIKeyHNHWNGALCKNXBP-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-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 60859341
N-methyl-2-[(6-methyl-3-pyridinyl)methylamino]benzenesulfonamide
CID 62994869
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
2-(aminomethyl)-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-3-sulfonamide
CID 106594468
5-chloro-2-[(2-methoxy-4-pyridinyl)methylamino]benzoic acid
CID 62989660
2-(methoxyamino)-N-methylbenzenesulfonamide
CID 23002402
2-bromo-6-[(2-methoxy-4-pyridinyl)methylamino]benzonitrile
CID 114881000
N-[(2-methoxy-4-pyridinyl)methyl]-3-methylsulfonylbenzenesulfonamide
CID 55559063
N-[(2-methoxy-4-pyridinyl)methyl]-6-(methylamino)pyridine-3-sulfonamide
CID 62989683
N-[(2-methoxy-4-pyridinyl)methyl]-2-(methylamino)pyrimidine-5-sulfonamide
CID 62990758
5-amino-2-[(2-methoxy-4-pyridinyl)methylamino]benzamide
CID 62990349
2-amino-N-[(2-methoxy-4-pyridinyl)methyl]pyridine-4-sulfonamide
CID 62991116

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide (CID 62995922) is 2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1NCc1ccnc(OC)c1.
What is the InChIKey of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
The InChIKey is HNHWNGALCKNXBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-15-21(18,19)13-6-4-3-5-12(13)17-10-11-7-8-16-14(9-11)20-2/h3-9,15,17H,10H2,1-2H3.
What are the key properties of 2-[(2-methoxy-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide?
2-[(2-methoxy-4-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-4-pyridinyl)methylamino]-N-methylbenzenesulfonamide is sourced from PubChem (CID 62995922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).