2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide

C11H14FN5O2S — CID 106077186

IUPAC2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)NCCn1ccnn1
InChIInChI=1S/C11H14FN5O2S/c12-10-2-1-9(8-13)11(7-10)20(18,19)15-4-6-17-5-3-14-16-17/h1-3,5,7,15H,4,6,8,13H2
InChIKeyFFECUWMYMNXGOJ-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.15
Rot. Bonds6

About 2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide

2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide (PubChem CID 106077186) has the molecular formula C11H14FN5O2S and a molecular weight of 299.33 g/mol. Its IUPAC name is 2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
PubChem CID106077186
Molecular FormulaC11H14FN5O2S
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
SMILESNCc1ccc(F)cc1S(=O)(=O)NCCn1ccnn1
InChIInChI=1S/C11H14FN5O2S/c12-10-2-1-9(8-13)11(7-10)20(18,19)15-4-6-17-5-3-14-16-17/h1-3,5,7,15H,4,6,8,13H2
InChIKeyFFECUWMYMNXGOJ-UHFFFAOYSA-N
XLogP-0.15
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-5-fluoro-N-(2-imidazol-1-ylethyl)benzenesulfonamide
CID 106018063
2-(aminomethyl)-5-fluoro-N-(3-imidazol-1-ylpropyl)benzenesulfonamide
CID 106029754
4-bromo-2-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 116528824
4-(aminomethyl)-2-fluoro-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077035
5-(aminomethyl)-2,3-dimethyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 106077256
5-(aminomethyl)-2-methyl-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077262
4-amino-N-[2-(triazol-1-yl)ethyl]pyridine-3-sulfonamide
CID 113413216
2-amino-4-fluoro-N-(2-pyrazol-1-ylethyl)benzenesulfonamide
CID 61460076
4-bromo-2-chloro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113375159
5-(aminomethyl)-N-[2-(triazol-1-yl)ethyl]thiophene-3-sulfonamide
CID 106077153
5-(aminomethyl)-2-bromo-N-[3-(triazol-1-yl)propyl]benzenesulfonamide
CID 106077026
4-hydrazinyl-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide
CID 113412993

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide (CID 106077186) is 2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide is NCc1ccc(F)cc1S(=O)(=O)NCCn1ccnn1.
What is the InChIKey of 2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
The InChIKey is FFECUWMYMNXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O2S/c12-10-2-1-9(8-13)11(7-10)20(18,19)15-4-6-17-5-3-14-16-17/h1-3,5,7,15H,4,6,8,13H2.
What are the key properties of 2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide?
2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of -0.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-5-fluoro-N-[2-(triazol-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 106077186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).