N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide

C13H14BrClN2O2S2 — CID 11165755

IUPACN-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
SMILESCC(C)(C)c1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1Br
InChIInChI=1S/C13H14BrClN2O2S2/c1-13(2,3)10-11(14)20-12(16-10)17-21(18,19)9-6-4-8(15)5-7-9/h4-7H,1-3H3,(H,16,17)
InChIKeyLHALODNUSDEBTM-UHFFFAOYSA-N
MW409.76 g/mol
LogP4.66
Rot. Bonds3

About N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide

N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide (PubChem CID 11165755) has the molecular formula C13H14BrClN2O2S2 and a molecular weight of 409.76 g/mol. Its IUPAC name is N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
PubChem CID11165755
Molecular FormulaC13H14BrClN2O2S2
Molecular Weight409.76 g/mol
Exact Mass407.94
IUPAC NameN-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
SMILESCC(C)(C)c1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1Br
InChIInChI=1S/C13H14BrClN2O2S2/c1-13(2,3)10-11(14)20-12(16-10)17-21(18,19)9-6-4-8(15)5-7-9/h4-7H,1-3H3,(H,16,17)
InChIKeyLHALODNUSDEBTM-UHFFFAOYSA-N
XLogP4.66
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.76
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 847131
4-{[(4-Chlorophenyl)sulfonyl]methyl}-1,3-thiazol-2-amine
CID 750249
3-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 838729
N-(4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
CID 2805100
N-[4-(tert-butyl)-1,3-thiazol-2-yl]-3-chlorobenzenesulfonamide
CID 4527165
4-chloro-N-[4-methyl-5-(2,2,2-trichloroethyl)-1,3-thiazol-2-yl]benzenesulfonamide
CID 11475640
4-chloro-N-(4-ethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 173093822
2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 3387919
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide
CID 3517942
4-chloro-N-(4-methyl-5-propan-2-yl-1,3-thiazol-2-yl)benzenesulfonamide
CID 3765073
4-chloro-N-(4,5-dimethyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 5244928
N-(5-tert-butyl-4-methyl-1,3-thiazol-2-yl)-3-chlorobenzenesulfonamide
CID 11674607

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide?
The IUPAC name of N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide (CID 11165755) is N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide is CC(C)(C)c1nc(NS(=O)(=O)c2ccc(Cl)cc2)sc1Br.
What is the InChIKey of N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide?
The InChIKey is LHALODNUSDEBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrClN2O2S2/c1-13(2,3)10-11(14)20-12(16-10)17-21(18,19)9-6-4-8(15)5-7-9/h4-7H,1-3H3,(H,16,17).
What are the key properties of N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide?
N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide has a molecular weight of 409.76 g/mol, XLogP of 4.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-tert-butyl-1,3-thiazol-2-yl)-4-chlorobenzenesulfonamide is sourced from PubChem (CID 11165755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).