5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide

C12H14FN3O2S2 — CID 28716592

IUPAC5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(CN)ccc2F)sc1C
InChIInChI=1S/C12H14FN3O2S2/c1-7-8(2)19-12(15-7)16-20(17,18)11-5-9(6-14)3-4-10(11)13/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyIUYWYTFOAOCOEJ-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.16
Rot. Bonds4

About 5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide

5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide (PubChem CID 28716592) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
PubChem CID28716592
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide
SMILESCc1nc(NS(=O)(=O)c2cc(CN)ccc2F)sc1C
InChIInChI=1S/C12H14FN3O2S2/c1-7-8(2)19-12(15-7)16-20(17,18)11-5-9(6-14)3-4-10(11)13/h3-5H,6,14H2,1-2H3,(H,15,16)
InChIKeyIUYWYTFOAOCOEJ-UHFFFAOYSA-N
XLogP2.16
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide (CID 28716592) is 5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide is Cc1nc(NS(=O)(=O)c2cc(CN)ccc2F)sc1C.
What is the InChIKey of 5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide?
The InChIKey is IUYWYTFOAOCOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-7-8(2)19-12(15-7)16-20(17,18)11-5-9(6-14)3-4-10(11)13/h3-5H,6,14H2,1-2H3,(H,15,16).
What are the key properties of 5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide?
5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.16, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-fluorobenzenesulfonamide is sourced from PubChem (CID 28716592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).