N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide

C13H15FN2O3S2 — CID 56764884

IUPACN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide
SMILESCc1nc(NS(=O)(=O)CCOc2ccc(F)cc2)sc1C
InChIInChI=1S/C13H15FN2O3S2/c1-9-10(2)20-13(15-9)16-21(17,18)8-7-19-12-5-3-11(14)4-6-12/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyCWHHXJWRQWSWME-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.72
Rot. Bonds6

About N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide

N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide (PubChem CID 56764884) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide
PubChem CID56764884
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC NameN-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide
SMILESCc1nc(NS(=O)(=O)CCOc2ccc(F)cc2)sc1C
InChIInChI=1S/C13H15FN2O3S2/c1-9-10(2)20-13(15-9)16-21(17,18)8-7-19-12-5-3-11(14)4-6-12/h3-6H,7-8H2,1-2H3,(H,15,16)
InChIKeyCWHHXJWRQWSWME-UHFFFAOYSA-N
XLogP2.72
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide?
The IUPAC name of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide (CID 56764884) is N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide is Cc1nc(NS(=O)(=O)CCOc2ccc(F)cc2)sc1C.
What is the InChIKey of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide?
The InChIKey is CWHHXJWRQWSWME-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-9-10(2)20-13(15-9)16-21(17,18)8-7-19-12-5-3-11(14)4-6-12/h3-6H,7-8H2,1-2H3,(H,15,16).
What are the key properties of N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide?
N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-thiazol-2-yl)-2-(4-fluorophenoxy)ethanesulfonamide is sourced from PubChem (CID 56764884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).