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

C11H18FN3O4S2 — CID 106335878

IUPAC3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C11H18FN3O4S2/c1-2-14-20(16,17)6-5-15-21(18,19)10-3-4-11(12)9(7-10)8-13/h3-4,7,14-15H,2,5-6,8,13H2,1H3
InChIKeyQHWCLZUZQPJBJC-UHFFFAOYSA-N
MW339.41 g/mol
LogP-0.50
Rot. Bonds8

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

3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide (PubChem CID 106335878) has the molecular formula C11H18FN3O4S2 and a molecular weight of 339.41 g/mol. Its IUPAC name is 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
PubChem CID106335878
Molecular FormulaC11H18FN3O4S2
Molecular Weight339.41 g/mol
Exact Mass339.07
IUPAC Name3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)CCNS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C11H18FN3O4S2/c1-2-14-20(16,17)6-5-15-21(18,19)10-3-4-11(12)9(7-10)8-13/h3-4,7,14-15H,2,5-6,8,13H2,1H3
InChIKeyQHWCLZUZQPJBJC-UHFFFAOYSA-N
XLogP-0.50
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 5-0.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
CID 63287982
4-amino-N-[2-(ethylsulfamoyl)ethyl]-3-fluorobenzenesulfonamide
CID 106333528
3-(aminomethyl)-4-fluoro-N-(3-methylbutyl)benzenesulfonamide
CID 28716883
3-(aminomethyl)-4-fluoro-N-(2-methoxyethyl)benzenesulfonamide
CID 28716684
3-(aminomethyl)-4-fluoro-N-(3-methylsulfanylpropyl)benzenesulfonamide
CID 114141430
2-[[3-(aminomethyl)-4-fluorophenyl]sulfonylamino]ethylurea
CID 83117043
3-(aminomethyl)-4-fluoro-N-(5-methylhexyl)benzenesulfonamide
CID 115325164
3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 63288638
3-(aminomethyl)-4-fluoro-N-(2-pyridin-2-ylethyl)benzenesulfonamide
CID 63287946
3-(aminomethyl)-N-(2-cyclopentyloxyethyl)-4-fluorobenzenesulfonamide
CID 63827191
N-[2-(ethylsulfamoyl)ethyl]-4-(1-hydroxyethyl)benzenesulfonamide
CID 106341929
3-(aminomethyl)-N-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 28716951

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide (CID 106335878) is 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide is CCNS(=O)(=O)CCNS(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide?
The InChIKey is QHWCLZUZQPJBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FN3O4S2/c1-2-14-20(16,17)6-5-15-21(18,19)10-3-4-11(12)9(7-10)8-13/h3-4,7,14-15H,2,5-6,8,13H2,1H3.
What are the key properties of 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide has a molecular weight of 339.41 g/mol, XLogP of -0.50, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 106335878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).