4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide

C12H11N3O7S2 — CID 2833650

IUPAC4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H11N3O7S2/c13-23(19,20)9-3-1-2-8(6-9)14-24(21,22)10-4-5-12(16)11(7-10)15(17)18/h1-7,14,16H,(H2,13,19,20)
InChIKeyMAZZOIKBKCKRDP-UHFFFAOYSA-N
MW373.37 g/mol
LogP0.75
Rot. Bonds5

About 4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide

4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide (PubChem CID 2833650) has the molecular formula C12H11N3O7S2 and a molecular weight of 373.37 g/mol. Its IUPAC name is 4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide
PubChem CID2833650
Molecular FormulaC12H11N3O7S2
Molecular Weight373.37 g/mol
Exact Mass373.00
IUPAC Name4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide
SMILESNS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)c1
InChIInChI=1S/C12H11N3O7S2/c13-23(19,20)9-3-1-2-8(6-9)14-24(21,22)10-4-5-12(16)11(7-10)15(17)18/h1-7,14,16H,(H2,13,19,20)
InChIKeyMAZZOIKBKCKRDP-UHFFFAOYSA-N
XLogP0.75
TPSA169.70 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 50.75
H-Bond Donors ≤ 53
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

2-Aminophenol-4-sulfonamide
CID 66814
Benzenesulfonamide, 4-hydroxy-3-nitro-
CID 90631
4,4'-Sulphonylbis(2-aminophenol)
CID 82047
Oryzalin metabolite OR-20
CID 139597735
2-Amino-6-nitro-1-phenol-4-sulfonic acid
CID 3844407
2-Nitro-4-(pyrrolidine-1-sulfonyl)phenol
CID 3749282
4-methoxy-N-(2-methoxyphenyl)-3-nitrobenzenesulfonamide
CID 2945716
N-(2-hydroxyphenyl)-3-nitrobenzenesulfonamide
CID 2835148
4-(4-Hydroxy-3,5-dinitrobenzenesulfonyl)-2,6-dinitrophenol
CID 3089804
3-Amino-4-hydroxy-5-nitrobenzenesulfonamide
CID 15476112
Sodium 4-hydroxy-3-nitrobenzenesulfonate
CID 12598197
2'-Hydroxy-4'-nitrobenzenesulfonanilide
CID 5225749

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide?
The IUPAC name of 4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide (CID 2833650) is 4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide?
The canonical SMILES for 4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide is NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(O)c([N+](=O)[O-])c2)c1.
What is the InChIKey of 4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide?
The InChIKey is MAZZOIKBKCKRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O7S2/c13-23(19,20)9-3-1-2-8(6-9)14-24(21,22)10-4-5-12(16)11(7-10)15(17)18/h1-7,14,16H,(H2,13,19,20).
What are the key properties of 4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide?
4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide has a molecular weight of 373.37 g/mol, XLogP of 0.75, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-nitro-N-(3-sulfamoylphenyl)benzenesulfonamide is sourced from PubChem (CID 2833650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).