4-(azetidin-3-ylsulfonyl)phenol

C9H11NO3S — CID 18425840

IUPAC4-(azetidin-3-ylsulfonyl)phenol
SMILESO=S(=O)(c1ccc(O)cc1)C1CNC1
InChIInChI=1S/C9H11NO3S/c11-7-1-3-8(4-2-7)14(12,13)9-5-10-6-9/h1-4,9-11H,5-6H2
InChIKeyZNLIFNPENIESCA-UHFFFAOYSA-N
MW213.26 g/mol
LogP0.14
Rot. Bonds2

About 4-(azetidin-3-ylsulfonyl)phenol

4-(azetidin-3-ylsulfonyl)phenol (PubChem CID 18425840) has the molecular formula C9H11NO3S and a molecular weight of 213.26 g/mol. Its IUPAC name is 4-(azetidin-3-ylsulfonyl)phenol.

Molecular Properties

Compound Name4-(azetidin-3-ylsulfonyl)phenol
PubChem CID18425840
Molecular FormulaC9H11NO3S
Molecular Weight213.26 g/mol
Exact Mass213.05
IUPAC Name4-(azetidin-3-ylsulfonyl)phenol
SMILESO=S(=O)(c1ccc(O)cc1)C1CNC1
InChIInChI=1S/C9H11NO3S/c11-7-1-3-8(4-2-7)14(12,13)9-5-10-6-9/h1-4,9-11H,5-6H2
InChIKeyZNLIFNPENIESCA-UHFFFAOYSA-N
XLogP0.14
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.26
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-S-Cysteaminylphenol
CID 115347
N-ethyl-4-hydroxybenzene-1-sulfonamide
CID 43135494
4-Hydroxy-alpha-methylphenyl-2-aminoethylsulfide
CID 195132
4-(4-Hydroxyphenyl)sulfanylazetidin-2-one
CID 54764503
N-acetyl-4-S-cysteaminylphenol
CID 124470
4-hydroxy-N-propylbenzene-1-sulfonamide
CID 21127856
3-[(4-Methoxyphenyl)sulfonyl]azetidine hydrochloride
CID 72716321
4-(Propane-1-sulfonyl)phenol
CID 23145101
4-(Isopropylsulfonyl)phenol
CID 23588881
3-(4-Methoxybenzenesulfonyl)azetidine
CID 71777937
4-(Butylsulfonyl)phenol
CID 20249285
p-Hydroxyphenyl 4-aminobutyl sulfide
CID 12224903

Frequently Asked Questions

What is the IUPAC name of 4-(azetidin-3-ylsulfonyl)phenol?
The IUPAC name of 4-(azetidin-3-ylsulfonyl)phenol (CID 18425840) is 4-(azetidin-3-ylsulfonyl)phenol.
What is the SMILES notation for 4-(azetidin-3-ylsulfonyl)phenol?
The canonical SMILES for 4-(azetidin-3-ylsulfonyl)phenol is O=S(=O)(c1ccc(O)cc1)C1CNC1.
What is the InChIKey of 4-(azetidin-3-ylsulfonyl)phenol?
The InChIKey is ZNLIFNPENIESCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3S/c11-7-1-3-8(4-2-7)14(12,13)9-5-10-6-9/h1-4,9-11H,5-6H2.
What are the key properties of 4-(azetidin-3-ylsulfonyl)phenol?
4-(azetidin-3-ylsulfonyl)phenol has a molecular weight of 213.26 g/mol, XLogP of 0.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azetidin-3-ylsulfonyl)phenol is sourced from PubChem (CID 18425840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).