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

C9H6BrN3O5S2 — CID 60785749

IUPACN-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ncc(Br)s2)ccc1O
InChIInChI=1S/C9H6BrN3O5S2/c10-8-4-11-9(19-8)12-20(17,18)5-1-2-7(14)6(3-5)13(15)16/h1-4,14H,(H,11,12)
InChIKeyVGXGAGOASNWESS-UHFFFAOYSA-N
MW380.20 g/mol
LogP2.32
Rot. Bonds4

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

N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide (PubChem CID 60785749) has the molecular formula C9H6BrN3O5S2 and a molecular weight of 380.20 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide
PubChem CID60785749
Molecular FormulaC9H6BrN3O5S2
Molecular Weight380.20 g/mol
Exact Mass378.89
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1cc(S(=O)(=O)Nc2ncc(Br)s2)ccc1O
InChIInChI=1S/C9H6BrN3O5S2/c10-8-4-11-9(19-8)12-20(17,18)5-1-2-7(14)6(3-5)13(15)16/h1-4,14H,(H,11,12)
InChIKeyVGXGAGOASNWESS-UHFFFAOYSA-N
XLogP2.32
TPSA122.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.20
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxybenzenesulfonamide
CID 60785748
5-amino-N-(5-bromo-1,3-thiazol-2-yl)-2-nitrobenzenesulfonamide
CID 62146498
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 103740820
4-bromo-N-(5-bromo-1,3-thiazol-2-yl)-3-fluorobenzenesulfonamide
CID 107649952
4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide
CID 81496749
4-hydroxy-3-nitro-N-pyridin-3-ylbenzenesulfonamide
CID 43217817
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)-2-chloro-4-nitrobenzenesulfonamide
CID 60783868
3-bromo-4-chloro-N-(5-nitro-1,3-thiazol-2-yl)benzenesulfonamide
CID 106611531
4-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methylbenzenecarbothioamide
CID 106920069
5-[(5-bromo-1,3-thiazol-2-yl)sulfamoyl]-2-methoxybenzoic acid
CID 60784641
N-(2,6-dimethylphenyl)-4-hydroxy-3-nitrobenzenesulfonamide
CID 31579190

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide (CID 60785749) is N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide is O=[N+]([O-])c1cc(S(=O)(=O)Nc2ncc(Br)s2)ccc1O.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide?
The InChIKey is VGXGAGOASNWESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6BrN3O5S2/c10-8-4-11-9(19-8)12-20(17,18)5-1-2-7(14)6(3-5)13(15)16/h1-4,14H,(H,11,12).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide?
N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide has a molecular weight of 380.20 g/mol, XLogP of 2.32, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-4-hydroxy-3-nitrobenzenesulfonamide is sourced from PubChem (CID 60785749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).