5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide

C12H14FN3O2S2 — CID 126841284

IUPAC5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide
SMILESCCc1cnc(CNc2ccc(F)c(S(N)(=O)=O)c2)s1
InChIInChI=1S/C12H14FN3O2S2/c1-2-9-6-16-12(19-9)7-15-8-3-4-10(13)11(5-8)20(14,17)18/h3-6,15H,2,7H2,1H3,(H2,14,17,18)
InChIKeyJVXUOHLQQAXTNA-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.10
Rot. Bonds5

About 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide

5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide (PubChem CID 126841284) has the molecular formula C12H14FN3O2S2 and a molecular weight of 315.40 g/mol. Its IUPAC name is 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide.

Molecular Properties

Compound Name5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide
PubChem CID126841284
Molecular FormulaC12H14FN3O2S2
Molecular Weight315.40 g/mol
Exact Mass315.05
IUPAC Name5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide
SMILESCCc1cnc(CNc2ccc(F)c(S(N)(=O)=O)c2)s1
InChIInChI=1S/C12H14FN3O2S2/c1-2-9-6-16-12(19-9)7-15-8-3-4-10(13)11(5-8)20(14,17)18/h3-6,15H,2,7H2,1H3,(H2,14,17,18)
InChIKeyJVXUOHLQQAXTNA-UHFFFAOYSA-N
XLogP2.10
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide?
The IUPAC name of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide (CID 126841284) is 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide.
What is the SMILES notation for 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide?
The canonical SMILES for 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide is CCc1cnc(CNc2ccc(F)c(S(N)(=O)=O)c2)s1.
What is the InChIKey of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide?
The InChIKey is JVXUOHLQQAXTNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FN3O2S2/c1-2-9-6-16-12(19-9)7-15-8-3-4-10(13)11(5-8)20(14,17)18/h3-6,15H,2,7H2,1H3,(H2,14,17,18).
What are the key properties of 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide?
5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide has a molecular weight of 315.40 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethyl-1,3-thiazol-2-yl)methylamino]-2-fluorobenzenesulfonamide is sourced from PubChem (CID 126841284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).