1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide

C7H7BrN2O5S — CID 107681657

IUPAC1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1cccc(O)c1NS(=O)(=O)CBr
InChIInChI=1S/C7H7BrN2O5S/c8-4-16(14,15)9-7-5(10(12)13)2-1-3-6(7)11/h1-3,9,11H,4H2
InChIKeyGNISVOXFNBALIE-UHFFFAOYSA-N
MW311.11 g/mol
LogP1.39
Rot. Bonds4

About 1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide

1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide (PubChem CID 107681657) has the molecular formula C7H7BrN2O5S and a molecular weight of 311.11 g/mol. Its IUPAC name is 1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide
PubChem CID107681657
Molecular FormulaC7H7BrN2O5S
Molecular Weight311.11 g/mol
Exact Mass309.93
IUPAC Name1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide
SMILESO=[N+]([O-])c1cccc(O)c1NS(=O)(=O)CBr
InChIInChI=1S/C7H7BrN2O5S/c8-4-16(14,15)9-7-5(10(12)13)2-1-3-6(7)11/h1-3,9,11H,4H2
InChIKeyGNISVOXFNBALIE-UHFFFAOYSA-N
XLogP1.39
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.11
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-hydroxy-3-nitro-2-(sulfamoylamino)benzene
CID 107681501
N-(2-hydroxy-6-nitrophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107681575
4-[(2-hydroxy-6-nitrophenyl)sulfamoyl]butanoic acid
CID 107681703
5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide
CID 107681550
N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide
CID 107681543
[2-(bromomethyl)-6-nitrophenyl]hydrazine
CID 118855249
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
1-bromo-N-(5-fluoro-2-nitrophenyl)methanesulfonamide
CID 83085584
2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107906031
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
(2-hydroxy-6-nitrophenyl)mercury;hydrate
CID 21455177

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide (CID 107681657) is 1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide is O=[N+]([O-])c1cccc(O)c1NS(=O)(=O)CBr.
What is the InChIKey of 1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide?
The InChIKey is GNISVOXFNBALIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7BrN2O5S/c8-4-16(14,15)9-7-5(10(12)13)2-1-3-6(7)11/h1-3,9,11H,4H2.
What are the key properties of 1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide?
1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide has a molecular weight of 311.11 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide is sourced from PubChem (CID 107681657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).