4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide

C13H15FN2O3S2 — CID 107328243

IUPAC4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C13H15FN2O3S2/c1-7-4-10(14)5-8(2)12(7)21(18,19)16-13-15-11(6-20-13)9(3)17/h4-6,9,17H,1-3H3,(H,15,16)
InChIKeyGIDONPOVTQTSJR-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.75
Rot. Bonds4

About 4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide

4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide (PubChem CID 107328243) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide
PubChem CID107328243
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC Name4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide
SMILESCc1cc(F)cc(C)c1S(=O)(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C13H15FN2O3S2/c1-7-4-10(14)5-8(2)12(7)21(18,19)16-13-15-11(6-20-13)9(3)17/h4-6,9,17H,1-3H3,(H,15,16)
InChIKeyGIDONPOVTQTSJR-UHFFFAOYSA-N
XLogP2.75
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide (CID 107328243) is 4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide is Cc1cc(F)cc(C)c1S(=O)(=O)Nc1nc(C(C)O)cs1.
What is the InChIKey of 4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide?
The InChIKey is GIDONPOVTQTSJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-7-4-10(14)5-8(2)12(7)21(18,19)16-13-15-11(6-20-13)9(3)17/h4-6,9,17H,1-3H3,(H,15,16).
What are the key properties of 4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide?
4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 107328243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).