5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide

C8H9BrN2O5S — CID 61052286

IUPAC5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCO
InChIInChI=1S/C8H9BrN2O5S/c9-6-1-2-7(11(13)14)8(5-6)17(15,16)10-3-4-12/h1-2,5,10,12H,3-4H2
InChIKeyJWKHPVSFQMZBND-UHFFFAOYSA-N
MW325.14 g/mol
LogP0.63
Rot. Bonds5

About 5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide

5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide (PubChem CID 61052286) has the molecular formula C8H9BrN2O5S and a molecular weight of 325.14 g/mol. Its IUPAC name is 5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
PubChem CID61052286
Molecular FormulaC8H9BrN2O5S
Molecular Weight325.14 g/mol
Exact Mass323.94
IUPAC Name5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
SMILESO=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCO
InChIInChI=1S/C8H9BrN2O5S/c9-6-1-2-7(11(13)14)8(5-6)17(15,16)10-3-4-12/h1-2,5,10,12H,3-4H2
InChIKeyJWKHPVSFQMZBND-UHFFFAOYSA-N
XLogP0.63
TPSA109.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.14
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

5-bromo-N-[2-(methanesulfonamido)ethyl]-2-nitrobenzenesulfonamide
CID 61016762
2-[(5-bromo-2-nitrophenyl)sulfonylamino]ethylurea
CID 83110096
4-[(5-bromo-2-nitrophenyl)sulfonylamino]butanoic acid
CID 61063298
N-(4-aminobutyl)-5-bromo-2-nitrobenzenesulfonamide;hydrochloride
CID 120583812
2-[(5-bromo-2-nitrophenyl)sulfonylamino]-N-propylacetamide
CID 61016948
5-bromo-N-(4-methylsulfanylbutyl)-2-nitrobenzenesulfonamide
CID 115638728
N-(3-aminobutyl)-5-bromo-2-nitrobenzenesulfonamide;hydrochloride
CID 119972778
5-bromo-N-[[1-(hydroxymethyl)cyclopropyl]methyl]-2-nitrobenzenesulfonamide
CID 115454534
5-bromo-2-nitro-N-[2-(1,3-thiazol-2-yl)ethyl]benzenesulfonamide
CID 62196825
4-fluoro-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide
CID 43502076
5-bromo-N-[(4-bromothiophen-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 61069071
5-bromo-N-(cyclopentylmethyl)-2-nitrobenzenesulfonamide
CID 61016024

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
The IUPAC name of 5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide (CID 61052286) is 5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
The canonical SMILES for 5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide is O=[N+]([O-])c1ccc(Br)cc1S(=O)(=O)NCCO.
What is the InChIKey of 5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
The InChIKey is JWKHPVSFQMZBND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O5S/c9-6-1-2-7(11(13)14)8(5-6)17(15,16)10-3-4-12/h1-2,5,10,12H,3-4H2.
What are the key properties of 5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide?
5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide has a molecular weight of 325.14 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(2-hydroxyethyl)-2-nitrobenzenesulfonamide is sourced from PubChem (CID 61052286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).