2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide

C13H16FN3O3S — CID 106378290

IUPAC2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(F)ccc2CN)oc1C
InChIInChI=1S/C13H16FN3O3S/c1-8-9(2)20-13(17-8)7-16-21(18,19)12-5-11(14)4-3-10(12)6-15/h3-5,16H,6-7,15H2,1-2H3
InChIKeyHASAIZITTVKPLJ-UHFFFAOYSA-N
MW313.35 g/mol
LogP1.37
Rot. Bonds5

About 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide

2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide (PubChem CID 106378290) has the molecular formula C13H16FN3O3S and a molecular weight of 313.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
PubChem CID106378290
Molecular FormulaC13H16FN3O3S
Molecular Weight313.35 g/mol
Exact Mass313.09
IUPAC Name2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide
SMILESCc1nc(CNS(=O)(=O)c2cc(F)ccc2CN)oc1C
InChIInChI=1S/C13H16FN3O3S/c1-8-9(2)20-13(17-8)7-16-21(18,19)12-5-11(14)4-3-10(12)6-15/h3-5,16H,6-7,15H2,1-2H3
InChIKeyHASAIZITTVKPLJ-UHFFFAOYSA-N
XLogP1.37
TPSA98.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide?
The IUPAC name of 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide (CID 106378290) is 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide.
What is the SMILES notation for 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide?
The canonical SMILES for 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide is Cc1nc(CNS(=O)(=O)c2cc(F)ccc2CN)oc1C.
What is the InChIKey of 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide?
The InChIKey is HASAIZITTVKPLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O3S/c1-8-9(2)20-13(17-8)7-16-21(18,19)12-5-11(14)4-3-10(12)6-15/h3-5,16H,6-7,15H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide?
2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide has a molecular weight of 313.35 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluorobenzenesulfonamide is sourced from PubChem (CID 106378290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).