N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

C13H15FN2O3S2 — CID 59436535

IUPACN-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)N(c1nccs1)S(=O)(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C13H15FN2O3S2/c1-13(2,3)16(12-15-6-7-20-12)21(18,19)9-4-5-11(17)10(14)8-9/h4-8,17H,1-3H3
InChIKeyXHDWUPPUUYLFBM-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.98
Rot. Bonds3

About N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide

N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59436535) has the molecular formula C13H15FN2O3S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID59436535
Molecular FormulaC13H15FN2O3S2
Molecular Weight330.41 g/mol
Exact Mass330.05
IUPAC NameN-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)N(c1nccs1)S(=O)(=O)c1ccc(O)c(F)c1
InChIInChI=1S/C13H15FN2O3S2/c1-13(2,3)16(12-15-6-7-20-12)21(18,19)9-4-5-11(17)10(14)8-9/h4-8,17H,1-3H3
InChIKeyXHDWUPPUUYLFBM-UHFFFAOYSA-N
XLogP2.98
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59436535) is N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)(C)N(c1nccs1)S(=O)(=O)c1ccc(O)c(F)c1.
What is the InChIKey of N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is XHDWUPPUUYLFBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O3S2/c1-13(2,3)16(12-15-6-7-20-12)21(18,19)9-4-5-11(17)10(14)8-9/h4-8,17H,1-3H3.
What are the key properties of N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide?
N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-fluoro-4-hydroxy-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59436535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).