4-(2-methoxyethoxy)benzenesulfonyl fluoride

C9H11FO4S — CID 98661024

IUPAC4-(2-methoxyethoxy)benzenesulfonyl fluoride
SMILESCOCCOc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C9H11FO4S/c1-13-6-7-14-8-2-4-9(5-3-8)15(10,11)12/h2-5H,6-7H2,1H3
InChIKeyYFZBPZPPCQMCPD-UHFFFAOYSA-N
MW234.25 g/mol
LogP1.37
Rot. Bonds5

About 4-(2-methoxyethoxy)benzenesulfonyl fluoride

4-(2-methoxyethoxy)benzenesulfonyl fluoride (PubChem CID 98661024) has the molecular formula C9H11FO4S and a molecular weight of 234.25 g/mol. Its IUPAC name is 4-(2-methoxyethoxy)benzenesulfonyl fluoride.

Molecular Properties

Compound Name4-(2-methoxyethoxy)benzenesulfonyl fluoride
PubChem CID98661024
Molecular FormulaC9H11FO4S
Molecular Weight234.25 g/mol
Exact Mass234.04
IUPAC Name4-(2-methoxyethoxy)benzenesulfonyl fluoride
SMILESCOCCOc1ccc(S(=O)(=O)F)cc1
InChIInChI=1S/C9H11FO4S/c1-13-6-7-14-8-2-4-9(5-3-8)15(10,11)12/h2-5H,6-7H2,1H3
InChIKeyYFZBPZPPCQMCPD-UHFFFAOYSA-N
XLogP1.37
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 51.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(3-methylbutoxy)benzenesulfonyl fluoride
CID 165461294
N-tert-butyl-4-(2-methoxyethoxy)benzenesulfonamide
CID 35291114
1-(6-methoxyhexoxy)-4-[4-(6-methoxyhexoxy)phenyl]sulfonylbenzene
CID 58939456
(3,5-dimethylphenyl) 4-(2-methoxyethoxy)benzenesulfonate
CID 35294104
(4-tert-butylphenyl) 4-(2-methoxyethoxy)benzenesulfonate
CID 35292720
N,N-bis(2-hydroxyethyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 61233827
N-[2-[(4-fluorophenyl)sulfonylamino]phenyl]-4-(2-methoxyethoxy)benzenesulfonamide
CID 30867560
N-(2-amino-2-methylpropyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115303427
N-(2-hydroxy-2-methylbutyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 65113406
trifluoro-[4-(2-methoxyethoxy)phenyl]boranuide
CID 63677654
(2,4,6-trimethylphenyl) 4-(2-methoxyethoxy)benzenesulfonate
CID 35297587
N-(3-hydroxypentyl)-4-(2-methoxyethoxy)benzenesulfonamide
CID 115747265

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyethoxy)benzenesulfonyl fluoride?
The IUPAC name of 4-(2-methoxyethoxy)benzenesulfonyl fluoride (CID 98661024) is 4-(2-methoxyethoxy)benzenesulfonyl fluoride.
What is the SMILES notation for 4-(2-methoxyethoxy)benzenesulfonyl fluoride?
The canonical SMILES for 4-(2-methoxyethoxy)benzenesulfonyl fluoride is COCCOc1ccc(S(=O)(=O)F)cc1.
What is the InChIKey of 4-(2-methoxyethoxy)benzenesulfonyl fluoride?
The InChIKey is YFZBPZPPCQMCPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FO4S/c1-13-6-7-14-8-2-4-9(5-3-8)15(10,11)12/h2-5H,6-7H2,1H3.
What are the key properties of 4-(2-methoxyethoxy)benzenesulfonyl fluoride?
4-(2-methoxyethoxy)benzenesulfonyl fluoride has a molecular weight of 234.25 g/mol, XLogP of 1.37, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethoxy)benzenesulfonyl fluoride is sourced from PubChem (CID 98661024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).