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

C15H19FN2O3S2 — CID 87756681

IUPAC2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide
SMILESCCC(O)(CC)c1csc(NS(=O)(=O)c2cc(C)ccc2F)n1
InChIInChI=1S/C15H19FN2O3S2/c1-4-15(19,5-2)13-9-22-14(17-13)18-23(20,21)12-8-10(3)6-7-11(12)16/h6-9,19H,4-5H2,1-3H3,(H,17,18)
InChIKeyJEHQGKQGBCZUKA-UHFFFAOYSA-N
MW358.46 g/mol
LogP3.40
Rot. Bonds6

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

2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide (PubChem CID 87756681) has the molecular formula C15H19FN2O3S2 and a molecular weight of 358.46 g/mol. Its IUPAC name is 2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide
PubChem CID87756681
Molecular FormulaC15H19FN2O3S2
Molecular Weight358.46 g/mol
Exact Mass358.08
IUPAC Name2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide
SMILESCCC(O)(CC)c1csc(NS(=O)(=O)c2cc(C)ccc2F)n1
InChIInChI=1S/C15H19FN2O3S2/c1-4-15(19,5-2)13-9-22-14(17-13)18-23(20,21)12-8-10(3)6-7-11(12)16/h6-9,19H,4-5H2,1-3H3,(H,17,18)
InChIKeyJEHQGKQGBCZUKA-UHFFFAOYSA-N
XLogP3.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide?
The IUPAC name of 2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide (CID 87756681) is 2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide is CCC(O)(CC)c1csc(NS(=O)(=O)c2cc(C)ccc2F)n1.
What is the InChIKey of 2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide?
The InChIKey is JEHQGKQGBCZUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O3S2/c1-4-15(19,5-2)13-9-22-14(17-13)18-23(20,21)12-8-10(3)6-7-11(12)16/h6-9,19H,4-5H2,1-3H3,(H,17,18).
What are the key properties of 2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide?
2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide has a molecular weight of 358.46 g/mol, XLogP of 3.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 87756681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).