5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

C12H13FN2O3S2 — CID 64572651

IUPAC5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C12H13FN2O3S2/c1-7-3-4-9(13)5-11(7)20(17,18)15-12-14-10(6-19-12)8(2)16/h3-6,8,16H,1-2H3,(H,14,15)
InChIKeyCIWRDSIYQUAGML-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.44
Rot. Bonds4

About 5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide

5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (PubChem CID 64572651) has the molecular formula C12H13FN2O3S2 and a molecular weight of 316.38 g/mol. Its IUPAC name is 5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
PubChem CID64572651
Molecular FormulaC12H13FN2O3S2
Molecular Weight316.38 g/mol
Exact Mass316.04
IUPAC Name5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1nc(C(C)O)cs1
InChIInChI=1S/C12H13FN2O3S2/c1-7-3-4-9(13)5-11(7)20(17,18)15-12-14-10(6-19-12)8(2)16/h3-6,8,16H,1-2H3,(H,14,15)
InChIKeyCIWRDSIYQUAGML-UHFFFAOYSA-N
XLogP2.44
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide (CID 64572651) is 5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1nc(C(C)O)cs1.
What is the InChIKey of 5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
The InChIKey is CIWRDSIYQUAGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S2/c1-7-3-4-9(13)5-11(7)20(17,18)15-12-14-10(6-19-12)8(2)16/h3-6,8,16H,1-2H3,(H,14,15).
What are the key properties of 5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide?
5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide has a molecular weight of 316.38 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[4-(1-hydroxyethyl)-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 64572651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).