3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide

C11H15NO3S — CID 174951467

IUPAC3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
SMILESCC1(Cc2cccc(S(N)(=O)=O)c2)COC1
InChIInChI=1S/C11H15NO3S/c1-11(7-15-8-11)6-9-3-2-4-10(5-9)16(12,13)14/h2-5H,6-8H2,1H3,(H2,12,13,14)
InChIKeyXWRIITUCXFLZAF-UHFFFAOYSA-N
MW241.31 g/mol
LogP0.91
Rot. Bonds3

About 3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide

3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide (PubChem CID 174951467) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is 3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
PubChem CID174951467
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC Name3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
SMILESCC1(Cc2cccc(S(N)(=O)=O)c2)COC1
InChIInChI=1S/C11H15NO3S/c1-11(7-15-8-11)6-9-3-2-4-10(5-9)16(12,13)14/h2-5H,6-8H2,1H3,(H2,12,13,14)
InChIKeyXWRIITUCXFLZAF-UHFFFAOYSA-N
XLogP0.91
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(hydroxymethyl)benzenesulfonamide
CID 23133799
3-(2-aminopropyl)benzenesulfonamide
CID 72637077
benzene-1,3-disulfonamide
CID 3090044
3-(2-methyl-1,3-dioxolan-2-yl)benzenesulfonamide
CID 18461628
3-[(ethylsulfonylamino)methyl]benzenesulfonamide
CID 47337146
3-[[(4-methylphenyl)methylamino]methyl]benzenesulfonamide
CID 60860114
3-(1-aminocyclopropyl)benzenesulfonamide
CID 70895936
3-[(pentan-3-ylamino)methyl]benzenesulfonamide
CID 54927067
3-[[(2-methyloxolan-3-yl)amino]methyl]benzenesulfonamide
CID 82727555
3-methylbenzenesulfonamide
CID 69347063
3-[[(3,5-dimethylcyclohexyl)amino]methyl]benzenesulfonamide
CID 64752597
1-(2-methylpropyl)-2-[(3-sulfamoylphenyl)methyl]guanidine;hydroiodide
CID 111059378

Frequently Asked Questions

What is the IUPAC name of 3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide (CID 174951467) is 3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide is CC1(Cc2cccc(S(N)(=O)=O)c2)COC1.
What is the InChIKey of 3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
The InChIKey is XWRIITUCXFLZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(7-15-8-11)6-9-3-2-4-10(5-9)16(12,13)14/h2-5H,6-8H2,1H3,(H2,12,13,14).
What are the key properties of 3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 174951467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).