5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide

C11H12FN3O2S2 — CID 28716588

IUPAC5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2cc(CN)ccc2F)n1
InChIInChI=1S/C11H12FN3O2S2/c1-7-6-18-11(14-7)15-19(16,17)10-4-8(5-13)2-3-9(10)12/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyXHDGVFRDEKBDLI-UHFFFAOYSA-N
MW301.37 g/mol
LogP1.85
Rot. Bonds4

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

5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 28716588) has the molecular formula C11H12FN3O2S2 and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID28716588
Molecular FormulaC11H12FN3O2S2
Molecular Weight301.37 g/mol
Exact Mass301.04
IUPAC Name5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1csc(NS(=O)(=O)c2cc(CN)ccc2F)n1
InChIInChI=1S/C11H12FN3O2S2/c1-7-6-18-11(14-7)15-19(16,17)10-4-8(5-13)2-3-9(10)12/h2-4,6H,5,13H2,1H3,(H,14,15)
InChIKeyXHDGVFRDEKBDLI-UHFFFAOYSA-N
XLogP1.85
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 28716588) is 5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is Cc1csc(NS(=O)(=O)c2cc(CN)ccc2F)n1.
What is the InChIKey of 5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is XHDGVFRDEKBDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O2S2/c1-7-6-18-11(14-7)15-19(16,17)10-4-8(5-13)2-3-9(10)12/h2-4,6H,5,13H2,1H3,(H,14,15).
What are the key properties of 5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide?
5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 301.37 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-fluoro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 28716588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).