3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide

C13H15FN2O3S2 — CID 86247508

IUPAC3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCC(O)Cc1csc(NS(=O)(=O)c2cccc(F)c2)n1
InChIInChI=1S/C13H15FN2O3S2/c1-2-11(17)7-10-8-20-13(15-10)16-21(18,19)12-5-3-4-9(14)6-12/h3-6,8,11,17H,2,7H2,1H3,(H,15,16)
InChIKeyMVVOVWHKJCEKSF-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.40
Rot. Bonds6

About 3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide

3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide (PubChem CID 86247508) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide
PubChem CID86247508
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC Name3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide
SMILESCCC(O)Cc1csc(NS(=O)(=O)c2cccc(F)c2)n1
InChIInChI=1S/C13H15FN2O3S2/c1-2-11(17)7-10-8-20-13(15-10)16-21(18,19)12-5-3-4-9(14)6-12/h3-6,8,11,17H,2,7H2,1H3,(H,15,16)
InChIKeyMVVOVWHKJCEKSF-UHFFFAOYSA-N
XLogP2.40
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide (CID 86247508) is 3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide is CCC(O)Cc1csc(NS(=O)(=O)c2cccc(F)c2)n1.
What is the InChIKey of 3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide?
The InChIKey is MVVOVWHKJCEKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-2-11(17)7-10-8-20-13(15-10)16-21(18,19)12-5-3-4-9(14)6-12/h3-6,8,11,17H,2,7H2,1H3,(H,15,16).
What are the key properties of 3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide?
3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.40, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(2-hydroxybutyl)-1,3-thiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 86247508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).