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

C11H15NO3S — CID 118472177

IUPACN-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccccc2)COC1
InChIInChI=1S/C11H15NO3S/c1-11(8-15-9-11)7-12-16(13,14)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyQZTWDQPHFPOKHR-UHFFFAOYSA-N
MW241.31 g/mol
LogP1.00
Rot. Bonds4

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

N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide (PubChem CID 118472177) has the molecular formula C11H15NO3S and a molecular weight of 241.31 g/mol. Its IUPAC name is N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
PubChem CID118472177
Molecular FormulaC11H15NO3S
Molecular Weight241.31 g/mol
Exact Mass241.08
IUPAC NameN-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide
SMILESCC1(CNS(=O)(=O)c2ccccc2)COC1
InChIInChI=1S/C11H15NO3S/c1-11(8-15-9-11)7-12-16(13,14)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3
InChIKeyQZTWDQPHFPOKHR-UHFFFAOYSA-N
XLogP1.00
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.31
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
The IUPAC name of N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide (CID 118472177) is N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide is CC1(CNS(=O)(=O)c2ccccc2)COC1.
What is the InChIKey of N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
The InChIKey is QZTWDQPHFPOKHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3S/c1-11(8-15-9-11)7-12-16(13,14)10-5-3-2-4-6-10/h2-6,12H,7-9H2,1H3.
What are the key properties of N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide?
N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide has a molecular weight of 241.31 g/mol, XLogP of 1.00, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyloxetan-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 118472177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).