2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

C12H14N2O2S2 — CID 787582

IUPAC2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2nccs2)c(C)c1
InChIInChI=1S/C12H14N2O2S2/c1-8-6-9(2)11(10(3)7-8)18(15,16)14-12-13-4-5-17-12/h4-7H,1-3H3,(H,13,14)
InChIKeyQYQXBJLBBLGTCA-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.87
Rot. Bonds3

About 2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide

2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 787582) has the molecular formula C12H14N2O2S2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID787582
Molecular FormulaC12H14N2O2S2
Molecular Weight282.39 g/mol
Exact Mass282.05
IUPAC Name2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESCc1cc(C)c(S(=O)(=O)Nc2nccs2)c(C)c1
InChIInChI=1S/C12H14N2O2S2/c1-8-6-9(2)11(10(3)7-8)18(15,16)14-12-13-4-5-17-12/h4-7H,1-3H3,(H,13,14)
InChIKeyQYQXBJLBBLGTCA-UHFFFAOYSA-N
XLogP2.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4,6-trimethyl-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 2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 787582) is 2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is Cc1cc(C)c(S(=O)(=O)Nc2nccs2)c(C)c1.
What is the InChIKey of 2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is QYQXBJLBBLGTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S2/c1-8-6-9(2)11(10(3)7-8)18(15,16)14-12-13-4-5-17-12/h4-7H,1-3H3,(H,13,14).
What are the key properties of 2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide?
2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 282.39 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trimethyl-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 787582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).