1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide

C12H13FN2O2S2 — CID 67196317

IUPAC1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide
SMILESNS(=O)(=O)C(CCc1cscn1)c1ccccc1F
InChIInChI=1S/C12H13FN2O2S2/c13-11-4-2-1-3-10(11)12(19(14,16)17)6-5-9-7-18-8-15-9/h1-4,7-8,12H,5-6H2,(H2,14,16,17)
InChIKeyCPVJMIXOHTWIGE-UHFFFAOYSA-N
MW300.38 g/mol
LogP2.24
Rot. Bonds5

About 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide

1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide (PubChem CID 67196317) has the molecular formula C12H13FN2O2S2 and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide
PubChem CID67196317
Molecular FormulaC12H13FN2O2S2
Molecular Weight300.38 g/mol
Exact Mass300.04
IUPAC Name1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide
SMILESNS(=O)(=O)C(CCc1cscn1)c1ccccc1F
InChIInChI=1S/C12H13FN2O2S2/c13-11-4-2-1-3-10(11)12(19(14,16)17)6-5-9-7-18-8-15-9/h1-4,7-8,12H,5-6H2,(H2,14,16,17)
InChIKeyCPVJMIXOHTWIGE-UHFFFAOYSA-N
XLogP2.24
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide (CID 67196317) is 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide is NS(=O)(=O)C(CCc1cscn1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide?
The InChIKey is CPVJMIXOHTWIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2S2/c13-11-4-2-1-3-10(11)12(19(14,16)17)6-5-9-7-18-8-15-9/h1-4,7-8,12H,5-6H2,(H2,14,16,17).
What are the key properties of 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide?
1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide has a molecular weight of 300.38 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-3-(1,3-thiazol-4-yl)propane-1-sulfonamide is sourced from PubChem (CID 67196317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).