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

C13H16N2O2S2 — CID 697171

IUPAC4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-13(2,3)10-4-6-11(7-5-10)19(16,17)15-12-14-8-9-18-12/h4-9H,1-3H3,(H,14,15)
InChIKeyPWAGFHSCLKYRGT-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.24
Rot. Bonds3

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

4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 697171) has the molecular formula C13H16N2O2S2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID697171
Molecular FormulaC13H16N2O2S2
Molecular Weight296.42 g/mol
Exact Mass296.07
IUPAC Name4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C13H16N2O2S2/c1-13(2,3)10-4-6-11(7-5-10)19(16,17)15-12-14-8-9-18-12/h4-9H,1-3H3,(H,14,15)
InChIKeyPWAGFHSCLKYRGT-UHFFFAOYSA-N
XLogP3.24
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 697171) is 4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is CC(C)(C)c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is PWAGFHSCLKYRGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2S2/c1-13(2,3)10-4-6-11(7-5-10)19(16,17)15-12-14-8-9-18-12/h4-9H,1-3H3,(H,14,15).
What are the key properties of 4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 296.42 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 697171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).