[4-(bromomethyl)phenyl]sulfonylmethanol

C8H9BrO3S — CID 21344055

IUPAC[4-(bromomethyl)phenyl]sulfonylmethanol
SMILESO=S(=O)(CO)c1ccc(CBr)cc1
InChIInChI=1S/C8H9BrO3S/c9-5-7-1-3-8(4-2-7)13(11,12)6-10/h1-4,10H,5-6H2
InChIKeyZKSFMPTYJMFTRB-UHFFFAOYSA-N
MW265.13 g/mol
LogP1.30
Rot. Bonds3

About [4-(bromomethyl)phenyl]sulfonylmethanol

[4-(bromomethyl)phenyl]sulfonylmethanol (PubChem CID 21344055) has the molecular formula C8H9BrO3S and a molecular weight of 265.13 g/mol. Its IUPAC name is [4-(bromomethyl)phenyl]sulfonylmethanol.

Molecular Properties

Compound Name[4-(bromomethyl)phenyl]sulfonylmethanol
PubChem CID21344055
Molecular FormulaC8H9BrO3S
Molecular Weight265.13 g/mol
Exact Mass263.95
IUPAC Name[4-(bromomethyl)phenyl]sulfonylmethanol
SMILESO=S(=O)(CO)c1ccc(CBr)cc1
InChIInChI=1S/C8H9BrO3S/c9-5-7-1-3-8(4-2-7)13(11,12)6-10/h1-4,10H,5-6H2
InChIKeyZKSFMPTYJMFTRB-UHFFFAOYSA-N
XLogP1.30
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.13
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[4-(hydroxymethylsulfonyl)phenyl]methanol
CID 58553018
(4-iodophenyl)sulfonylmethanol
CID 58552975
4-(hydroxymethylsulfonyl)benzamide
CID 58552991
(4-hydrazinylphenyl)sulfonylmethanol
CID 19819859
[4-(bromomethyl)phenyl]sulfonylmethyl N-tert-butylcarbamate
CID 90842709
4-(bromomethyl)-N-[1-(hydroxymethyl)cyclopentyl]benzenesulfonamide
CID 65481622
4-(bromomethyl)-N-[(2S)-2-hydroxypropyl]benzenesulfonamide
CID 107858958
[(2S)-1-[4-(bromomethyl)phenyl]sulfonylpyrrolidin-2-yl]methanol
CID 107858899
4-(bromomethyl)-N-cyclopropylbenzenesulfonamide
CID 65482176
4-(bromomethyl)-N-(2-fluoroethyl)benzenesulfonamide
CID 88616743
2-[[4-(bromomethyl)phenyl]sulfonylamino]ethylurea
CID 83115023
methyl 3-[[4-(bromomethyl)phenyl]sulfonyl-methylamino]propanoate
CID 65481618

Frequently Asked Questions

What is the IUPAC name of [4-(bromomethyl)phenyl]sulfonylmethanol?
The IUPAC name of [4-(bromomethyl)phenyl]sulfonylmethanol (CID 21344055) is [4-(bromomethyl)phenyl]sulfonylmethanol.
What is the SMILES notation for [4-(bromomethyl)phenyl]sulfonylmethanol?
The canonical SMILES for [4-(bromomethyl)phenyl]sulfonylmethanol is O=S(=O)(CO)c1ccc(CBr)cc1.
What is the InChIKey of [4-(bromomethyl)phenyl]sulfonylmethanol?
The InChIKey is ZKSFMPTYJMFTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrO3S/c9-5-7-1-3-8(4-2-7)13(11,12)6-10/h1-4,10H,5-6H2.
What are the key properties of [4-(bromomethyl)phenyl]sulfonylmethanol?
[4-(bromomethyl)phenyl]sulfonylmethanol has a molecular weight of 265.13 g/mol, XLogP of 1.30, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(bromomethyl)phenyl]sulfonylmethanol is sourced from PubChem (CID 21344055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).