5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide

C11H14FN5O2S — CID 106093523

IUPAC5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
SMILESCn1cnc(CNS(=O)(=O)c2cc(CN)ccc2F)n1
InChIInChI=1S/C11H14FN5O2S/c1-17-7-14-11(16-17)6-15-20(18,19)10-4-8(5-13)2-3-9(10)12/h2-4,7,15H,5-6,13H2,1H3
InChIKeyVFVUSEXGLUDSLE-UHFFFAOYSA-N
MW299.33 g/mol
LogP-0.11
Rot. Bonds5

About 5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide

5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide (PubChem CID 106093523) has the molecular formula C11H14FN5O2S and a molecular weight of 299.33 g/mol. Its IUPAC name is 5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
PubChem CID106093523
Molecular FormulaC11H14FN5O2S
Molecular Weight299.33 g/mol
Exact Mass299.09
IUPAC Name5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
SMILESCn1cnc(CNS(=O)(=O)c2cc(CN)ccc2F)n1
InChIInChI=1S/C11H14FN5O2S/c1-17-7-14-11(16-17)6-15-20(18,19)10-4-8(5-13)2-3-9(10)12/h2-4,7,15H,5-6,13H2,1H3
InChIKeyVFVUSEXGLUDSLE-UHFFFAOYSA-N
XLogP-0.11
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide (CID 106093523) is 5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide is Cn1cnc(CNS(=O)(=O)c2cc(CN)ccc2F)n1.
What is the InChIKey of 5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
The InChIKey is VFVUSEXGLUDSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN5O2S/c1-17-7-14-11(16-17)6-15-20(18,19)10-4-8(5-13)2-3-9(10)12/h2-4,7,15H,5-6,13H2,1H3.
What are the key properties of 5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide?
5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide has a molecular weight of 299.33 g/mol, XLogP of -0.11, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-fluoro-N-[(1-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 106093523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).