3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide

C9H13FN2O2S — CID 63287982

IUPAC3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C9H13FN2O2S/c1-2-12-15(13,14)8-3-4-9(10)7(5-8)6-11/h3-5,12H,2,6,11H2,1H3
InChIKeyHDHMSHKNIMQIQK-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.58
Rot. Bonds4

About 3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide

3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide (PubChem CID 63287982) has the molecular formula C9H13FN2O2S and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
PubChem CID63287982
Molecular FormulaC9H13FN2O2S
Molecular Weight232.28 g/mol
Exact Mass232.07
IUPAC Name3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(F)c(CN)c1
InChIInChI=1S/C9H13FN2O2S/c1-2-12-15(13,14)8-3-4-9(10)7(5-8)6-11/h3-5,12H,2,6,11H2,1H3
InChIKeyHDHMSHKNIMQIQK-UHFFFAOYSA-N
XLogP0.58
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-4-fluorobenzenesulfonamide
CID 106335878
3-(aminomethyl)-N-[2-(dimethylamino)propyl]-4-fluorobenzenesulfonamide
CID 63288638
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-(3,5-dimethylphenyl)-4-fluorobenzenesulfonamide
CID 28716951
3-(aminomethyl)-4-fluoro-N-(4-methylpentan-2-yl)benzenesulfonamide
CID 55172499
5-(ethylsulfamoyl)-2-fluorobenzoyl chloride
CID 66486989
3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114699441
3-(aminomethyl)-4-fluoro-N-(4-iodophenyl)benzenesulfonamide
CID 106029558

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide (CID 63287982) is 3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide is CCNS(=O)(=O)c1ccc(F)c(CN)c1.
What is the InChIKey of 3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide?
The InChIKey is HDHMSHKNIMQIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13FN2O2S/c1-2-12-15(13,14)8-3-4-9(10)7(5-8)6-11/h3-5,12H,2,6,11H2,1H3.
What are the key properties of 3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide?
3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide has a molecular weight of 232.28 g/mol, XLogP of 0.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-N-ethyl-4-fluorobenzenesulfonamide is sourced from PubChem (CID 63287982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).