5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride

C12H16ClFO5S — CID 103409266

IUPAC5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride
SMILESCOCCOCCCOc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClFO5S/c1-17-7-8-18-5-2-6-19-11-4-3-10(14)9-12(11)20(13,15)16/h3-4,9H,2,5-8H2,1H3
InChIKeyCMWBOGXCENOORI-UHFFFAOYSA-N
MW326.77 g/mol
LogP2.19
Rot. Bonds9

About 5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride

5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride (PubChem CID 103409266) has the molecular formula C12H16ClFO5S and a molecular weight of 326.77 g/mol. Its IUPAC name is 5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride.

Molecular Properties

Compound Name5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride
PubChem CID103409266
Molecular FormulaC12H16ClFO5S
Molecular Weight326.77 g/mol
Exact Mass326.04
IUPAC Name5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride
SMILESCOCCOCCCOc1ccc(F)cc1S(=O)(=O)Cl
InChIInChI=1S/C12H16ClFO5S/c1-17-7-8-18-5-2-6-19-11-4-3-10(14)9-12(11)20(13,15)16/h3-4,9H,2,5-8H2,1H3
InChIKeyCMWBOGXCENOORI-UHFFFAOYSA-N
XLogP2.19
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.77
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-pentoxybenzenesulfonyl chloride
CID 62104235
2-(3-ethylsulfonylpropoxy)-5-fluorobenzenesulfonyl chloride
CID 65094135
5-fluoro-2-(3-methoxy-3-methylbutoxy)benzenesulfonyl chloride
CID 103020699
5-fluoro-2-(4,4,4-trifluorobutoxy)benzenesulfonyl chloride
CID 113326287
5-fluoro-2-pent-4-enoxybenzenesulfonyl chloride
CID 82910510
5-fluoro-2-[3-(methylamino)-3-oxopropoxy]benzenesulfonyl chloride
CID 82910105
2-[3-(ethylamino)-3-oxopropoxy]-5-fluorobenzenesulfonyl chloride
CID 82910267
5-fluoro-2-(2-methylpropoxy)benzenesulfonyl chloride
CID 78986424
5-chloro-2-(4-methoxybutoxy)benzenesulfonyl chloride
CID 104647311
5-fluoro-2-[3-oxo-3-(propan-2-ylamino)propoxy]benzenesulfonyl chloride
CID 82910757
2-(2-methoxyethoxy)benzenesulfonyl chloride
CID 75466193
3-chlorosulfonyl-4-(2-methoxyethoxy)benzoic acid
CID 43145264

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride?
The IUPAC name of 5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride (CID 103409266) is 5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride.
What is the SMILES notation for 5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride?
The canonical SMILES for 5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride is COCCOCCCOc1ccc(F)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride?
The InChIKey is CMWBOGXCENOORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClFO5S/c1-17-7-8-18-5-2-6-19-11-4-3-10(14)9-12(11)20(13,15)16/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride?
5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride has a molecular weight of 326.77 g/mol, XLogP of 2.19, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[3-(2-methoxyethoxy)propoxy]benzenesulfonyl chloride is sourced from PubChem (CID 103409266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).