N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide

C16H17N3O2S2 — CID 35538530

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C16H17N3O2S2/c1-16(2,3)13-10-22-15(18-13)19-23(20,21)12-8-4-6-11-7-5-9-17-14(11)12/h4-10H,1-3H3,(H,18,19)
InChIKeyPLJVEBQISMKFSF-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.79
Rot. Bonds3

About N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide

N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide (PubChem CID 35538530) has the molecular formula C16H17N3O2S2 and a molecular weight of 347.47 g/mol. Its IUPAC name is N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide
PubChem CID35538530
Molecular FormulaC16H17N3O2S2
Molecular Weight347.47 g/mol
Exact Mass347.08
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2cccc3cccnc23)n1
InChIInChI=1S/C16H17N3O2S2/c1-16(2,3)13-10-22-15(18-13)19-23(20,21)12-8-4-6-11-7-5-9-17-14(11)12/h4-10H,1-3H3,(H,18,19)
InChIKeyPLJVEBQISMKFSF-UHFFFAOYSA-N
XLogP3.79
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
CID 81241206
ethyl 2-[2-(quinolin-8-ylsulfonylamino)-1,3-thiazol-4-yl]acetate
CID 10199594
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
CID 4527165
N-(2,6-dichlorophenyl)quinoline-8-sulfonamide
CID 5068800
N-[2,6-di(propan-2-yl)phenyl]quinoline-8-sulfonamide
CID 19683991
N-(2,4-dimethylphenyl)quinoline-8-sulfonamide
CID 4067742
N-(4-tert-butyl-1,3-thiazol-2-yl)-2-(methylamino)pyrimidine-5-sulfonamide
CID 62158728
N-(4-bromophenyl)quinoline-8-sulfonamide
CID 3423367
N-(2-methylpropyl)quinoline-8-sulfonamide
CID 19681190
N-[4-(quinolin-8-ylsulfonylamino)phenyl]acetamide
CID 2443922
2-amino-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62149608
5-amino-2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 65206542

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide (CID 35538530) is N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide is CC(C)(C)c1csc(NS(=O)(=O)c2cccc3cccnc23)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide?
The InChIKey is PLJVEBQISMKFSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S2/c1-16(2,3)13-10-22-15(18-13)19-23(20,21)12-8-4-6-11-7-5-9-17-14(11)12/h4-10H,1-3H3,(H,18,19).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide has a molecular weight of 347.47 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 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)quinoline-8-sulfonamide is sourced from PubChem (CID 35538530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).