N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide

C9H7BrN2O3S2 — CID 60785748

IUPACN-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)c1ccc(O)cc1
InChIInChI=1S/C9H7BrN2O3S2/c10-8-5-11-9(16-8)12-17(14,15)7-3-1-6(13)2-4-7/h1-5,13H,(H,11,12)
InChIKeyPNLCXKLPPSBMCO-UHFFFAOYSA-N
MW335.20 g/mol
LogP2.41
Rot. Bonds3

About N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide

N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide (PubChem CID 60785748) has the molecular formula C9H7BrN2O3S2 and a molecular weight of 335.20 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
PubChem CID60785748
Molecular FormulaC9H7BrN2O3S2
Molecular Weight335.20 g/mol
Exact Mass333.91
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
SMILESO=S(=O)(Nc1ncc(Br)s1)c1ccc(O)cc1
InChIInChI=1S/C9H7BrN2O3S2/c10-8-5-11-9(16-8)12-17(14,15)7-3-1-6(13)2-4-7/h1-5,13H,(H,11,12)
InChIKeyPNLCXKLPPSBMCO-UHFFFAOYSA-N
XLogP2.41
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.20
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
CID 107649952
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 60785749
N-(5-bromo-1,3-thiazol-2-yl)-4-[(propan-2-ylamino)methyl]benzenesulfonamide
CID 60823723
N-(5-bromo-1,3-thiazol-2-yl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 60784344
N-(5-bromo-1,3-thiazol-2-yl)-6-(ethylamino)pyridine-3-sulfonamide
CID 62147032
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 60784641
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920069
N-(5-bromo-1,3-thiazol-2-yl)-2-hydrazinylpyridine-4-sulfonamide
CID 61004029
N-(5-bromo-1,3-thiazol-2-yl)-2,4,6-trifluorobenzenesulfonamide
CID 54881580
6-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]pyridine-3-carboxylic acid
CID 63874506
N-(5-bromo-1,3-thiazol-2-yl)-2,1,3-benzothiadiazole-4-sulfonamide
CID 60785604
N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-oxo-1H-pyridine-3-sulfonamide
CID 64607879

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide (CID 60785748) is N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide is O=S(=O)(Nc1ncc(Br)s1)c1ccc(O)cc1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide?
The InChIKey is PNLCXKLPPSBMCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7BrN2O3S2/c10-8-5-11-9(16-8)12-17(14,15)7-3-1-6(13)2-4-7/h1-5,13H,(H,11,12).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide has a molecular weight of 335.20 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide is sourced from PubChem (CID 60785748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).