4-(azetidin-3-ylsulfonylmethyl)phenol

C10H13NO3S — CID 115070287

IUPAC4-(azetidin-3-ylsulfonylmethyl)phenol
SMILESO=S(=O)(Cc1ccc(O)cc1)C1CNC1
InChIInChI=1S/C10H13NO3S/c12-9-3-1-8(2-4-9)7-15(13,14)10-5-11-6-10/h1-4,10-12H,5-7H2
InChIKeyDHMJWMBPMKEWFQ-UHFFFAOYSA-N
MW227.28 g/mol
LogP0.28
Rot. Bonds3

About 4-(azetidin-3-ylsulfonylmethyl)phenol

4-(azetidin-3-ylsulfonylmethyl)phenol (PubChem CID 115070287) has the molecular formula C10H13NO3S and a molecular weight of 227.28 g/mol. Its IUPAC name is 4-(azetidin-3-ylsulfonylmethyl)phenol.

Molecular Properties

Compound Name4-(azetidin-3-ylsulfonylmethyl)phenol
PubChem CID115070287
Molecular FormulaC10H13NO3S
Molecular Weight227.28 g/mol
Exact Mass227.06
IUPAC Name4-(azetidin-3-ylsulfonylmethyl)phenol
SMILESO=S(=O)(Cc1ccc(O)cc1)C1CNC1
InChIInChI=1S/C10H13NO3S/c12-9-3-1-8(2-4-9)7-15(13,14)10-5-11-6-10/h1-4,10-12H,5-7H2
InChIKeyDHMJWMBPMKEWFQ-UHFFFAOYSA-N
XLogP0.28
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(4-bromophenyl)methylsulfonyl]azetidine
CID 115070286
3-benzylsulfonylazetidine
CID 71777930
4-(azetidin-3-ylmethylsulfonylmethyl)phenol
CID 81198576
4-[(4-hydroxyphenyl)methyl]pyrrolidin-3-ol
CID 84664828
[4-(cyclopentylsulfonylmethyl)phenyl]methanol
CID 110004765
3-[2-(4-methylphenyl)ethylsulfonyl]azetidine
CID 115070382
4-[[4-[(4-hydroxyphenyl)methylsulfonyl]phenyl]sulfonylmethyl]phenol
CID 70503031
4-(piperidin-4-ylsulfonylmethyl)pyridine
CID 71645638
4-[2-(azetidin-3-yl)-2-hydroxyethyl]phenol
CID 105447136
2-[4-(cyclohexylsulfonylmethyl)phenyl]acetic acid
CID 105345572
1-(2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl)-2-(4-hydroxyphenyl)ethanone
CID 66211397
4-[(4-nitrophenyl)methylsulfonyl]piperidine;hydrochloride
CID 177197384

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylsulfonylmethyl)phenol?
The IUPAC name of 4-(azetidin-3-ylsulfonylmethyl)phenol (CID 115070287) is 4-(azetidin-3-ylsulfonylmethyl)phenol.
What is the SMILES notation for 4-(azetidin-3-ylsulfonylmethyl)phenol?
The canonical SMILES for 4-(azetidin-3-ylsulfonylmethyl)phenol is O=S(=O)(Cc1ccc(O)cc1)C1CNC1.
What is the InChIKey of 4-(azetidin-3-ylsulfonylmethyl)phenol?
The InChIKey is DHMJWMBPMKEWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3S/c12-9-3-1-8(2-4-9)7-15(13,14)10-5-11-6-10/h1-4,10-12H,5-7H2.
What are the key properties of 4-(azetidin-3-ylsulfonylmethyl)phenol?
4-(azetidin-3-ylsulfonylmethyl)phenol has a molecular weight of 227.28 g/mol, XLogP of 0.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylsulfonylmethyl)phenol is sourced from PubChem (CID 115070287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).