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

C13H15ClN2O2S2 — CID 2805100

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN2O2S2/c1-13(2,3)11-8-19-12(15-11)16-20(17,18)10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H,15,16)
InChIKeyZVJLBQPEBJKODY-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.89
Rot. Bonds3

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide (PubChem CID 2805100) has the molecular formula C13H15ClN2O2S2 and a molecular weight of 330.86 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
PubChem CID2805100
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1
InChIInChI=1S/C13H15ClN2O2S2/c1-13(2,3)11-8-19-12(15-11)16-20(17,18)10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H,15,16)
InChIKeyZVJLBQPEBJKODY-UHFFFAOYSA-N
XLogP3.89
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.86
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide (CID 2805100) is N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide is CC(C)(C)c1csc(NS(=O)(=O)c2ccc(Cl)cc2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide?
The InChIKey is ZVJLBQPEBJKODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-13(2,3)11-8-19-12(15-11)16-20(17,18)10-6-4-9(14)5-7-10/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide has a molecular weight of 330.86 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 2805100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).