4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride

C10H11ClFNO6S — CID 43457148

IUPAC4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride
SMILESCCOCCOc1cc(F)c(S(=O)(=O)Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClFNO6S/c1-2-18-3-4-19-9-5-7(12)10(20(11,16)17)6-8(9)13(14)15/h5-6H,2-4H2,1H3
InChIKeyMAQYJSWSNKYRCE-UHFFFAOYSA-N
MW327.72 g/mol
LogP2.08
Rot. Bonds7

About 4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride

4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride (PubChem CID 43457148) has the molecular formula C10H11ClFNO6S and a molecular weight of 327.72 g/mol. Its IUPAC name is 4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride
PubChem CID43457148
Molecular FormulaC10H11ClFNO6S
Molecular Weight327.72 g/mol
Exact Mass327.00
IUPAC Name4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride
SMILESCCOCCOc1cc(F)c(S(=O)(=O)Cl)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11ClFNO6S/c1-2-18-3-4-19-9-5-7(12)10(20(11,16)17)6-8(9)13(14)15/h5-6H,2-4H2,1H3
InChIKeyMAQYJSWSNKYRCE-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

4-(2-ethoxyethoxy)-2-methyl-5-nitrobenzenesulfonyl chloride
CID 43457147
2-fluoro-4-(3-methylbut-2-enoxy)-5-nitrobenzenesulfonyl chloride
CID 82910135
4-(4-chlorosulfonyl-5-fluoro-2-nitrophenoxy)butanoic acid
CID 43247005
2-fluoro-5-nitro-4-prop-2-enoxybenzenesulfonyl chloride
CID 82909970
4-but-2-ynoxy-2-fluoro-5-nitrobenzenesulfonyl chloride
CID 82910709
2-(2-ethoxyethoxy)-3-fluoro-5-nitrobenzenesulfonyl chloride
CID 43457157
4-(3-fluoropropoxy)-2-methyl-5-nitrobenzenesulfonyl chloride
CID 81106790
2-[2-(4-bromo-5-fluoro-2-nitrophenoxy)ethoxy]ethanesulfonyl chloride
CID 103484203
2-fluoro-4-(2-fluoroethoxy)-5-nitrobenzenesulfonamide
CID 80695092
4-ethoxy-2-formyl-5-nitrobenzenesulfonyl chloride
CID 172969628
4-(3-methoxypropoxy)-2-methyl-5-nitrobenzenesulfonyl chloride
CID 60925968
4-(difluoromethoxy)-2-ethoxy-5-nitrobenzenesulfonyl chloride
CID 172969490

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride?
The IUPAC name of 4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride (CID 43457148) is 4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride.
What is the SMILES notation for 4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride?
The canonical SMILES for 4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride is CCOCCOc1cc(F)c(S(=O)(=O)Cl)cc1[N+](=O)[O-].
What is the InChIKey of 4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride?
The InChIKey is MAQYJSWSNKYRCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO6S/c1-2-18-3-4-19-9-5-7(12)10(20(11,16)17)6-8(9)13(14)15/h5-6H,2-4H2,1H3.
What are the key properties of 4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride?
4-(2-ethoxyethoxy)-2-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 4-(2-ethoxyethoxy)-2-fluoro-5-nitrobenzenesulfonyl chloride is sourced from PubChem (CID 43457148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).