4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide

C10H16FN3O4S2 — CID 106333528

IUPAC4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H16FN3O4S2/c1-2-13-19(15,16)6-5-14-20(17,18)8-3-4-10(12)9(11)7-8/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyFJVUDIOKNJSABV-UHFFFAOYSA-N
MW325.39 g/mol
LogP-0.37
Rot. Bonds7

About 4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide

4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide (PubChem CID 106333528) has the molecular formula C10H16FN3O4S2 and a molecular weight of 325.39 g/mol. Its IUPAC name is 4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide.

Molecular Properties

Compound Name4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
PubChem CID106333528
Molecular FormulaC10H16FN3O4S2
Molecular Weight325.39 g/mol
Exact Mass325.06
IUPAC Name4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1ccc(N)c(F)c1
InChIInChI=1S/C10H16FN3O4S2/c1-2-13-19(15,16)6-5-14-20(17,18)8-3-4-10(12)9(11)7-8/h3-4,7,13-14H,2,5-6,12H2,1H3
InChIKeyFJVUDIOKNJSABV-UHFFFAOYSA-N
XLogP-0.37
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 5-0.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106335878
4-amino-3-fluoro-N-(3-hydroxybutyl)benzenesulfonamide
CID 82844340
4-amino-3-fluoro-N-(2-methylpropyl)benzenesulfonamide
CID 82843843
4-amino-3-fluoro-N-(2-phenylethyl)benzenesulfonamide
CID 82844764
3-[(4-amino-3-fluorophenyl)sulfonylamino]-N,N-dimethylpropanamide
CID 82844098
2-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333459
4-amino-N-(2-ethyl-2-hydroxybutyl)-3-fluorobenzenesulfonamide
CID 82843587
2-amino-5-bromo-N-[2-(ethylsulfamoyl)ethyl]benzenesulfonamide
CID 106333542
3-amino-5-fluoro-4-methyl-N-[2-(methylsulfamoyl)ethyl]benzenesulfonamide
CID 106333363
4-[2-(ethylsulfamoyl)ethylamino]-3-fluorobenzenesulfonamide
CID 106338502
4-amino-3-fluoro-N-[2-(4-hydroxyphenyl)ethyl]benzenesulfonamide
CID 82845702
4-amino-3-fluoro-N-(2-pyridin-4-ylethyl)benzenesulfonamide
CID 82844779

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The IUPAC name of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide (CID 106333528) is 4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide.
What is the SMILES notation for 4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The canonical SMILES for 4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide is CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(N)c(F)c1.
What is the InChIKey of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
The InChIKey is FJVUDIOKNJSABV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16FN3O4S2/c1-2-13-19(15,16)6-5-14-20(17,18)8-3-4-10(12)9(11)7-8/h3-4,7,13-14H,2,5-6,12H2,1H3.
What are the key properties of 4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide?
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide has a molecular weight of 325.39 g/mol, XLogP of -0.37, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide is sourced from PubChem (CID 106333528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).