N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide

C13H16N2O3S2 — CID 81241206

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2ccccc2O)n1
InChIInChI=1S/C13H16N2O3S2/c1-13(2,3)11-8-19-12(14-11)15-20(17,18)10-7-5-4-6-9(10)16/h4-8,16H,1-3H3,(H,14,15)
InChIKeyXEFDSXQZABMFDH-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.95
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide (PubChem CID 81241206) has the molecular formula C13H16N2O3S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
PubChem CID81241206
Molecular FormulaC13H16N2O3S2
Molecular Weight312.42 g/mol
Exact Mass312.06
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2ccccc2O)n1
InChIInChI=1S/C13H16N2O3S2/c1-13(2,3)11-8-19-12(14-11)15-20(17,18)10-7-5-4-6-9(10)16/h4-8,16H,1-3H3,(H,14,15)
InChIKeyXEFDSXQZABMFDH-UHFFFAOYSA-N
XLogP2.95
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide
CID 35538530
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
CID 4527165
5-amino-2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 65206542
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzamide
CID 807675
N-(4-tert-butyl-1,3-thiazol-2-yl)-6-oxo-1H-pyridine-3-sulfonamide
CID 61499926
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158728
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-methyl-2-(2-methylphenyl)sulfonylpropanamide
CID 59662671
2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62159091
N-(4-tert-butyl-1,3-thiazol-2-yl)-5-iodothiophene-3-carboxamide
CID 78948952
2-[[4-[2-[(2-carboxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]sulfamoyl]benzoic acid
CID 3328320
2-[(4-tert-butylphenyl)sulfonylamino]-1,3-thiazole-4-carboxylic acid
CID 28858371
2-(hydroxymethyl)-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 114133504

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide (CID 81241206) is N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide is CC(C)(C)c1csc(NS(=O)(=O)c2ccccc2O)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide?
The InChIKey is XEFDSXQZABMFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3S2/c1-13(2,3)11-8-19-12(14-11)15-20(17,18)10-7-5-4-6-9(10)16/h4-8,16H,1-3H3,(H,14,15).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide is sourced from PubChem (CID 81241206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).