N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide

C15H19FN2O3S2 — CID 86247528

IUPACN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2O3S2/c1-3-15(19,4-2)9-12-10-22-14(17-12)18-23(20,21)13-7-5-11(16)6-8-13/h5-8,10,19H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyNJHYICOPGYIICB-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.18
Rot. Bonds7

About N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide

N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide (PubChem CID 86247528) has the molecular formula C15H19FN2O3S2 and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
PubChem CID86247528
Molecular FormulaC15H19FN2O3S2
Molecular Weight358.46 g/mol
Exact Mass358.08
IUPAC NameN-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide
SMILESCCC(O)(CC)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H19FN2O3S2/c1-3-15(19,4-2)9-12-10-22-14(17-12)18-23(20,21)13-7-5-11(16)6-8-13/h5-8,10,19H,3-4,9H2,1-2H3,(H,17,18)
InChIKeyNJHYICOPGYIICB-UHFFFAOYSA-N
XLogP3.18
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide (CID 86247528) is N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide is CCC(O)(CC)Cc1csc(NS(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
The InChIKey is NJHYICOPGYIICB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S2/c1-3-15(19,4-2)9-12-10-22-14(17-12)18-23(20,21)13-7-5-11(16)6-8-13/h5-8,10,19H,3-4,9H2,1-2H3,(H,17,18).
What are the key properties of N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide?
N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.18, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2-ethyl-2-hydroxybutyl)-1,3-thiazol-2-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 86247528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).