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

C13H15ClN2O2S2 — CID 4527165

IUPACN-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN2O2S2/c1-13(2,3)11-8-19-12(15-11)16-20(17,18)10-6-4-5-9(14)7-10/h4-8H,1-3H3,(H,15,16)
InChIKeyIHYMPPITTSFBJV-UHFFFAOYSA-N
MW330.86 g/mol
LogP3.89
Rot. Bonds3

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

N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide (PubChem CID 4527165) 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)-3-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
PubChem CID4527165
Molecular FormulaC13H15ClN2O2S2
Molecular Weight330.86 g/mol
Exact Mass330.03
IUPAC NameN-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2cccc(Cl)c2)n1
InChIInChI=1S/C13H15ClN2O2S2/c1-13(2,3)11-8-19-12(15-11)16-20(17,18)10-6-4-5-9(14)7-10/h4-8H,1-3H3,(H,15,16)
InChIKeyIHYMPPITTSFBJV-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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Related Compounds

N-(4-tert-butyl-1,3-thiazol-2-yl)-2-hydroxybenzenesulfonamide
CID 81241206
N-(4-tert-butyl-1,3-thiazol-2-yl)quinoline-8-sulfonamide
CID 35538530
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
5-amino-2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 65206542
3,5-dichloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 25047855
N-(4-tert-butyl-1,3-thiazol-2-yl)-4,4-dimethyl-2-oxo-1,3-dihydroquinoline-6-sulfonamide
CID 91938462
N-[4-(3-hydroxypentan-3-yl)-1,3-thiazol-2-yl]naphthalene-2-sulfonamide
CID 11545304
3-chloro-N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]phenyl]benzenesulfonamide
CID 110504097
3-chloro-N-(3-chlorophenyl)sulfonylbenzenesulfonamide
CID 18537457
2-amino-5-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)pyridine-3-sulfonamide
CID 62159091
3-chloro-N-(4-chlorophenyl)benzenesulfonamide
CID 889559

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide?
The IUPAC name of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide (CID 4527165) is N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide.
What is the SMILES notation for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide?
The canonical SMILES for N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide is CC(C)(C)c1csc(NS(=O)(=O)c2cccc(Cl)c2)n1.
What is the InChIKey of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide?
The InChIKey is IHYMPPITTSFBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2O2S2/c1-13(2,3)11-8-19-12(15-11)16-20(17,18)10-6-4-5-9(14)7-10/h4-8H,1-3H3,(H,15,16).
What are the key properties of N-(4-tert-butyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide?
N-(4-tert-butyl-1,3-thiazol-2-yl)-3-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)-3-chlorobenzenesulfonamide is sourced from PubChem (CID 4527165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).