3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide

C16H20N2O3S — CID 167917867

IUPAC3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccccc2OC)c1C
InChIInChI=1S/C16H20N2O3S/c1-12-14(8-6-10-16(12)22(19,20)17-2)18-11-13-7-4-5-9-15(13)21-3/h4-10,17-18H,11H2,1-3H3
InChIKeyVTEHFRNAXBHWLL-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.52
Rot. Bonds6

About 3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide

3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide (PubChem CID 167917867) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
PubChem CID167917867
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC Name3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(NCc2ccccc2OC)c1C
InChIInChI=1S/C16H20N2O3S/c1-12-14(8-6-10-16(12)22(19,20)17-2)18-11-13-7-4-5-9-15(13)21-3/h4-10,17-18H,11H2,1-3H3
InChIKeyVTEHFRNAXBHWLL-UHFFFAOYSA-N
XLogP2.52
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-hydrazinyl-N-[(2-methoxyphenyl)methyl]benzenesulfonamide
CID 43454817
2-[(2-methoxy-3-pyridinyl)methylamino]-N-methylbenzenesulfonamide
CID 60859341
2-[2-[(2-methoxyphenyl)methylamino]phenyl]acetamide
CID 43738441
N-[(2-ethylphenyl)methyl]-2-methoxyaniline
CID 62391032
2-(2-methoxyphenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9106782
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CID 109022024
N-[(5-bromo-2-methoxyphenyl)methyl]-2-methylsulfonylaniline
CID 43724648
3-[1-[(2-methoxyphenyl)methylamino]ethyl]-N-methylbenzenesulfonamide
CID 56824144
2-(1-chloroethyl)-N-[(2-methoxyphenyl)methyl]aniline
CID 65030382
N-[(2-methoxyphenyl)methyl]-3-methylbenzenesulfonamide
CID 3841493
1-methoxy-2-[(sulfamoylamino)methyl]benzene
CID 21041220
5-fluoro-2-methoxy-N-[(2-methoxyphenyl)methyl]aniline
CID 82539043

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The IUPAC name of 3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide (CID 167917867) is 3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The canonical SMILES for 3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide is CNS(=O)(=O)c1cccc(NCc2ccccc2OC)c1C.
What is the InChIKey of 3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
The InChIKey is VTEHFRNAXBHWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-12-14(8-6-10-16(12)22(19,20)17-2)18-11-13-7-4-5-9-15(13)21-3/h4-10,17-18H,11H2,1-3H3.
What are the key properties of 3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide?
3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide has a molecular weight of 320.41 g/mol, XLogP of 2.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)methylamino]-N,2-dimethylbenzenesulfonamide is sourced from PubChem (CID 167917867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).