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

C13H15BrN2O2S2 — CID 3387919

IUPAC2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2ccccc2Br)n1
InChIInChI=1S/C13H15BrN2O2S2/c1-13(2,3)11-8-19-12(15-11)16-20(17,18)10-7-5-4-6-9(10)14/h4-8H,1-3H3,(H,15,16)
InChIKeyHYCDWXZYDNGTDJ-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.00
Rot. Bonds3

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

2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 3387919) has the molecular formula C13H15BrN2O2S2 and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID3387919
Molecular FormulaC13H15BrN2O2S2
Molecular Weight375.31 g/mol
Exact Mass373.98
IUPAC Name2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide
SMILESCC(C)(C)c1csc(NS(=O)(=O)c2ccccc2Br)n1
InChIInChI=1S/C13H15BrN2O2S2/c1-13(2,3)11-8-19-12(15-11)16-20(17,18)10-7-5-4-6-9(10)14/h4-8H,1-3H3,(H,15,16)
InChIKeyHYCDWXZYDNGTDJ-UHFFFAOYSA-N
XLogP4.00
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide (CID 3387919) is 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide is CC(C)(C)c1csc(NS(=O)(=O)c2ccccc2Br)n1.
What is the InChIKey of 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is HYCDWXZYDNGTDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2S2/c1-13(2,3)11-8-19-12(15-11)16-20(17,18)10-7-5-4-6-9(10)14/h4-8H,1-3H3,(H,15,16).
What are the key properties of 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide?
2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 375.31 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(4-tert-butyl-1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 3387919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).