3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride

C7H6BrFO3S — CID 165477325

IUPAC3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cc(Br)cc(CO)c1
InChIInChI=1S/C7H6BrFO3S/c8-6-1-5(4-10)2-7(3-6)13(9,11)12/h1-3,10H,4H2
InChIKeyAUNTYACQQIWWLH-UHFFFAOYSA-N
MW269.09 g/mol
LogP1.60
Rot. Bonds2

About 3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride

3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride (PubChem CID 165477325) has the molecular formula C7H6BrFO3S and a molecular weight of 269.09 g/mol. Its IUPAC name is 3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride.

Molecular Properties

Compound Name3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride
PubChem CID165477325
Molecular FormulaC7H6BrFO3S
Molecular Weight269.09 g/mol
Exact Mass267.92
IUPAC Name3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride
SMILESO=S(=O)(F)c1cc(Br)cc(CO)c1
InChIInChI=1S/C7H6BrFO3S/c8-6-1-5(4-10)2-7(3-6)13(9,11)12/h1-3,10H,4H2
InChIKeyAUNTYACQQIWWLH-UHFFFAOYSA-N
XLogP1.60
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.09
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3,5-dibromophenyl)methanol;ethane
CID 144557111
1-bromo-3-ethyl-5-methylsulfonylbenzene
CID 171366283
1-[3-bromo-5-(hydroxymethyl)phenyl]-3-chloropropan-1-one
CID 134615536
3,5-difluorobenzenesulfonyl fluoride
CID 14195261
2-[3-bromo-5-(2-hydroxyethyl)phenyl]ethanol;ethane
CID 162439412
3-bromo-5-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 81488124
2-(3-bromo-5-chlorophenyl)sulfonylethanol
CID 121237681
2-[3-(hydroxymethyl)-5-methylsulfonylphenyl]acetic acid
CID 143144501
[3-bromo-5-(3-bromo-4-fluorophenyl)sulfonyl-4-fluorophenyl]methanol
CID 142587686
[2,6-dibromo-4-(hydroxymethyl)phenyl] benzenesulfonate
CID 126142703
5-aminobenzene-1,3-disulfonyl fluoride
CID 19369074
3,5-dimethylbenzenesulfonyl fluoride
CID 86062029

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride?
The IUPAC name of 3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride (CID 165477325) is 3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride.
What is the SMILES notation for 3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride?
The canonical SMILES for 3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride is O=S(=O)(F)c1cc(Br)cc(CO)c1.
What is the InChIKey of 3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride?
The InChIKey is AUNTYACQQIWWLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6BrFO3S/c8-6-1-5(4-10)2-7(3-6)13(9,11)12/h1-3,10H,4H2.
What are the key properties of 3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride?
3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride has a molecular weight of 269.09 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-(hydroxymethyl)benzenesulfonyl fluoride is sourced from PubChem (CID 165477325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).