2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide

C14H17N3O3S — CID 106082623

IUPAC2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccccn2)c(OC)c1
InChIInChI=1S/C14H17N3O3S/c1-15-10-11-6-7-13(12(9-11)20-2)21(18,19)17-14-5-3-4-8-16-14/h3-9,15H,10H2,1-2H3,(H,16,17)
InChIKeySTSUZZHBNSGSHX-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.61
Rot. Bonds6

About 2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide

2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 106082623) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID106082623
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCNCc1ccc(S(=O)(=O)Nc2ccccn2)c(OC)c1
InChIInChI=1S/C14H17N3O3S/c1-15-10-11-6-7-13(12(9-11)20-2)21(18,19)17-14-5-3-4-8-16-14/h3-9,15H,10H2,1-2H3,(H,16,17)
InChIKeySTSUZZHBNSGSHX-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-methoxy-5-(methylaminomethyl)-N-pyrimidin-2-ylbenzenesulfonamide
CID 106072006
5-amino-2,4-dimethoxy-N-pyridin-2-ylbenzenesulfonamide
CID 102945838
2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704500
2-methoxy-4-(methylaminomethyl)-N-(2-methylpropyl)benzenesulfonamide
CID 102704468
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 106996553
2-methoxy-N-[3-(methylaminomethyl)phenyl]benzenesulfonamide
CID 43606229
2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 114142231
N-(2,2-difluoroethyl)-2-methoxy-4-(methylaminomethyl)benzenesulfonamide
CID 102704669
2-methoxy-4-(methylaminomethyl)-N-(2-methylcyclopropyl)benzenesulfonamide
CID 102704578
2-methoxy-4-(methylaminomethyl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
CID 102704604
2-methoxy-N-methyl-4-(methylaminomethyl)-N-propan-2-ylbenzenesulfonamide
CID 102704328

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide (CID 106082623) is 2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide is CNCc1ccc(S(=O)(=O)Nc2ccccn2)c(OC)c1.
What is the InChIKey of 2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is STSUZZHBNSGSHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-15-10-11-6-7-13(12(9-11)20-2)21(18,19)17-14-5-3-4-8-16-14/h3-9,15H,10H2,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide 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-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106082623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).