2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide

C14H16N2O3S — CID 106485930

IUPAC2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Oc1cccc(CN)c1
InChIInChI=1S/C14H16N2O3S/c1-16-20(17,18)14-8-3-2-7-13(14)19-12-6-4-5-11(9-12)10-15/h2-9,16H,10,15H2,1H3
InChIKeyVOKMBOBLQYANBF-UHFFFAOYSA-N
MW292.36 g/mol
LogP1.85
Rot. Bonds5

About 2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide

2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide (PubChem CID 106485930) has the molecular formula C14H16N2O3S and a molecular weight of 292.36 g/mol. Its IUPAC name is 2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide
PubChem CID106485930
Molecular FormulaC14H16N2O3S
Molecular Weight292.36 g/mol
Exact Mass292.09
IUPAC Name2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1Oc1cccc(CN)c1
InChIInChI=1S/C14H16N2O3S/c1-16-20(17,18)14-8-3-2-7-13(14)19-12-6-4-5-11(9-12)10-15/h2-9,16H,10,15H2,1H3
InChIKeyVOKMBOBLQYANBF-UHFFFAOYSA-N
XLogP1.85
TPSA81.42 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-[3-(aminomethyl)phenoxy]phenyl]methanol
CID 63942730
2-(2-amino-2-methylpropoxy)-N-methylbenzenesulfonamide
CID 64538397
1-[3-(aminomethyl)phenyl]-N-methylmethanesulfonamide
CID 47002560
[2-[3-(methoxymethyl)phenoxy]phenyl]methanamine
CID 63986542
2-[3-(2-methylphenoxy)phenyl]ethanamine
CID 63942545
[2-(3-methylsulfonylphenoxy)phenyl]methanamine
CID 43806812
[3-[(2-methylpropan-2-yl)oxy]phenyl]methanamine;hydrochloride
CID 126802306
1-ethylsulfonyl-2-phenoxybenzene
CID 122651417
ethyl 2-[3-[2-(aminomethyl)phenoxy]phenyl]acetate
CID 54494277
[3-(3-propan-2-ylphenoxy)phenyl]methanamine
CID 63943480
[3-(4-ethoxyphenoxy)phenyl]methanamine
CID 58104515
3-(2-ethylsulfonylphenoxy)benzoic acid
CID 61395540

Frequently Asked Questions

What is the IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide?
The IUPAC name of 2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide (CID 106485930) is 2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide?
The canonical SMILES for 2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1Oc1cccc(CN)c1.
What is the InChIKey of 2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide?
The InChIKey is VOKMBOBLQYANBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3S/c1-16-20(17,18)14-8-3-2-7-13(14)19-12-6-4-5-11(9-12)10-15/h2-9,16H,10,15H2,1H3.
What are the key properties of 2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide?
2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide has a molecular weight of 292.36 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(aminomethyl)phenoxy]-N-methylbenzenesulfonamide is sourced from PubChem (CID 106485930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).