4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide

C10H15FN2O5S2 — CID 63246071

IUPAC4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C10H15FN2O5S2/c1-2-18-5-6-19(14,15)13-8-3-4-10(9(11)7-8)20(12,16)17/h3-4,7,13H,2,5-6H2,1H3,(H2,12,16,17)
InChIKeyZPGXCPGPSKOMEC-UHFFFAOYSA-N
MW326.37 g/mol
LogP0.25
Rot. Bonds7

About 4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide

4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide (PubChem CID 63246071) has the molecular formula C10H15FN2O5S2 and a molecular weight of 326.37 g/mol. Its IUPAC name is 4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide
PubChem CID63246071
Molecular FormulaC10H15FN2O5S2
Molecular Weight326.37 g/mol
Exact Mass326.04
IUPAC Name4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide
SMILESCCOCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C10H15FN2O5S2/c1-2-18-5-6-19(14,15)13-8-3-4-10(9(11)7-8)20(12,16)17/h3-4,7,13H,2,5-6H2,1H3,(H2,12,16,17)
InChIKeyZPGXCPGPSKOMEC-UHFFFAOYSA-N
XLogP0.25
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(2-ethoxyethylsulfonylamino)-2-methylbenzenesulfonamide
CID 63246113
N-(4-bromo-3-fluorophenyl)-2-ethoxyethanesulfonamide
CID 65431442
2-ethoxy-N-[3-fluoro-4-(3-hydroxyprop-1-ynyl)phenyl]ethanesulfonamide
CID 65436088
N-(3-chloro-4-hydroxyphenyl)-2-ethoxyethanesulfonamide
CID 64787721
2-methyl-4-(propylsulfonylamino)benzenesulfonamide
CID 43134191
2-ethoxy-N-(4-formylphenyl)ethanesulfonamide
CID 106912887
2-methyl-4-(2-propan-2-yloxyethylsulfonylamino)benzenesulfonamide
CID 79592852
2-ethoxy-N-[4-ethoxy-3-(hydroxymethyl)phenyl]ethanesulfonamide
CID 63246299
4-(2-ethoxyethylamino)benzenesulfonamide
CID 43591264
2-ethoxy-N-[3-[1-(methylamino)ethyl]phenyl]ethanesulfonamide
CID 63245607
N-(3,4-difluorophenyl)-2-(4-ethylphenoxy)ethanesulfonamide
CID 90518736
2-[4-(2-ethoxyethylsulfonylamino)phenoxy]ethanethioamide
CID 63245611

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide?
The IUPAC name of 4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide (CID 63246071) is 4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide?
The canonical SMILES for 4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide is CCOCCS(=O)(=O)Nc1ccc(S(N)(=O)=O)c(F)c1.
What is the InChIKey of 4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide?
The InChIKey is ZPGXCPGPSKOMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O5S2/c1-2-18-5-6-19(14,15)13-8-3-4-10(9(11)7-8)20(12,16)17/h3-4,7,13H,2,5-6H2,1H3,(H2,12,16,17).
What are the key properties of 4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide?
4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide has a molecular weight of 326.37 g/mol, XLogP of 0.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethoxyethylsulfonylamino)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 63246071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).