2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride

C10H11ClFNO6S — CID 43457157

IUPAC2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride
SMILESCCOCCOc1c(F)cc([N+](=O)[O-])cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClFNO6S/c1-2-18-3-4-19-10-8(12)5-7(13(14)15)6-9(10)20(11,16)17/h5-6H,2-4H2,1H3
InChIKeyIWFJITZLANLJBN-UHFFFAOYSA-N
MW327.72 g/mol
LogP2.08
Rot. Bonds7

About 2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride

2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride (PubChem CID 43457157) has the molecular formula C10H11ClFNO6S and a molecular weight of 327.72 g/mol. Its IUPAC name is 2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride
PubChem CID43457157
Molecular FormulaC10H11ClFNO6S
Molecular Weight327.72 g/mol
Exact Mass327.00
IUPAC Name2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride
SMILESCCOCCOc1c(F)cc([N+](=O)[O-])cc1S(=O)(=O)Cl
InChIInChI=1S/C10H11ClFNO6S/c1-2-18-3-4-19-10-8(12)5-7(13(14)15)6-9(10)20(11,16)17/h5-6H,2-4H2,1H3
InChIKeyIWFJITZLANLJBN-UHFFFAOYSA-N
XLogP2.08
TPSA95.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.72
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-fluoro-2-(3-fluoropropoxy)-5-nitrobenzenesulfonyl chloride
CID 81106047
3-fluoro-5-nitro-2-pent-3-ynoxybenzenesulfonyl chloride
CID 104805777
2-(2-ethylbutoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 82927294
2-[2-(ethylamino)-2-oxoethoxy]-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 82914092
4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 43457148
3-fluoro-5-nitro-2-(trifluoromethoxy)benzenesulfonyl chloride
CID 172969400
2-(3,3-dimethylbutoxy)-3-fluoro-5-nitrobenzenesulfonamide
CID 61481383
2-(4-methoxybutoxy)-3-methyl-5-nitrobenzenesulfonyl chloride
CID 104647318
2-chloro-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 172969014
4-(2-ethoxyethoxy)-2-methyl-5-nitrobenzenesulfonyl chloride
CID 43457147
3-fluoro-2-(3-methylbut-3-enoxy)-5-nitrobenzenesulfonamide
CID 114473027
3-fluoro-2-hydroxy-5-nitrobenzenesulfonyl chloride
CID 82915288

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride?
The IUPAC name of 2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride (CID 43457157) is 2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride?
The canonical SMILES for 2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride is CCOCCOc1c(F)cc([N+](=O)[O-])cc1S(=O)(=O)Cl.
What is the InChIKey of 2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride?
The InChIKey is IWFJITZLANLJBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO6S/c1-2-18-3-4-19-10-8(12)5-7(13(14)15)6-9(10)20(11,16)17/h5-6H,2-4H2,1H3.
What are the key properties of 2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride?
2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride has a molecular weight of 327.72 g/mol, XLogP of 2.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 43457157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).