2-(oxetan-3-ylmethyl)benzenesulfonamide

C10H13NO3S — CID 142797710

IUPAC2-(oxetan-3-ylmethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CC1COC1
InChIInChI=1S/C10H13NO3S/c11-15(12,13)10-4-2-1-3-9(10)5-8-6-14-7-8/h1-4,8H,5-7H2,(H2,11,12,13)
InChIKeyGBPVHJYHYVBRDR-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.52
Rot. Bonds3

About 2-(oxetan-3-ylmethyl)benzenesulfonamide

2-(oxetan-3-ylmethyl)benzenesulfonamide (PubChem CID 142797710) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 2-(oxetan-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(oxetan-3-ylmethyl)benzenesulfonamide
PubChem CID142797710
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name2-(oxetan-3-ylmethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CC1COC1
InChIInChI=1S/C10H13NO3S/c11-15(12,13)10-4-2-1-3-9(10)5-8-6-14-7-8/h1-4,8H,5-7H2,(H2,11,12,13)
InChIKeyGBPVHJYHYVBRDR-UHFFFAOYSA-N
XLogP0.52
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-Hydroxypropyl)benzene-1-sulfonamide
CID 15707360
4-(5-Hydroxypentyl)benzene-1-sulfonamide
CID 15707362
2-(2-Methylpropyl)benzenesulfonamide
CID 17928035
2-(Propan-2-yl)benzene-1-sulfonamide
CID 19098635
Octyl 2-methylbenzene-1-sulfonate
CID 71406365
4-Fluoro-2-(2-hydroxyethyl)benzenesulfonamide
CID 68579199
[(2S)-1-fluoro-2-methylheptyl] 2-methylbenzenesulfonate
CID 88387851
2-(1,1,3-Trifluoro-3-hydroxypropan-2-yl)benzenesulfonamide
CID 118472275
3-Fluoro-2-(2-hydroxyethyl)benzenesulfonamide
CID 141317068
4-Fluoro-2-(2-methoxyethyl)benzenesulfonamide
CID 152274813
2-(5,5,5-Trifluoro-4-methoxy-2-methylpentan-2-yl)benzenesulfonamide
CID 163976378
2-[3-(2-Fluoroethoxy)cyclobutyl]benzenesulfonyl chloride
CID 175356625

Frequently Asked Questions

What is the IUPAC name of 2-(oxetan-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 2-(oxetan-3-ylmethyl)benzenesulfonamide (CID 142797710) is 2-(oxetan-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 2-(oxetan-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 2-(oxetan-3-ylmethyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1CC1COC1.
What is the InChIKey of 2-(oxetan-3-ylmethyl)benzenesulfonamide?
The InChIKey is GBPVHJYHYVBRDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c11-15(12,13)10-4-2-1-3-9(10)5-8-6-14-7-8/h1-4,8H,5-7H2,(H2,11,12,13).
What are the key properties of 2-(oxetan-3-ylmethyl)benzenesulfonamide?
2-(oxetan-3-ylmethyl)benzenesulfonamide has a molecular weight of 227.28 g/mol, XLogP of 0.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxetan-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 142797710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).