1-hydroxy-3-nitro-2-(sulfamoylamino)benzene

C6H7N3O5S — CID 107681501

IUPAC1-hydroxy-3-nitro-2-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C6H7N3O5S/c7-15(13,14)8-6-4(9(11)12)2-1-3-5(6)10/h1-3,8,10H,(H2,7,13,14)
InChIKeyOXAXEDBKRUZITN-UHFFFAOYSA-N
MW233.21 g/mol
LogP-0.08
Rot. Bonds3

About 1-hydroxy-3-nitro-2-(sulfamoylamino)benzene

1-hydroxy-3-nitro-2-(sulfamoylamino)benzene (PubChem CID 107681501) has the molecular formula C6H7N3O5S and a molecular weight of 233.21 g/mol. Its IUPAC name is 1-hydroxy-3-nitro-2-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-hydroxy-3-nitro-2-(sulfamoylamino)benzene
PubChem CID107681501
Molecular FormulaC6H7N3O5S
Molecular Weight233.21 g/mol
Exact Mass233.01
IUPAC Name1-hydroxy-3-nitro-2-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1c(O)cccc1[N+](=O)[O-]
InChIInChI=1S/C6H7N3O5S/c7-15(13,14)8-6-4(9(11)12)2-1-3-5(6)10/h1-3,8,10H,(H2,7,13,14)
InChIKeyOXAXEDBKRUZITN-UHFFFAOYSA-N
XLogP-0.08
TPSA135.56 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'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-bromo-N-(2-hydroxy-6-nitrophenyl)methanesulfonamide
CID 107681657
N-(2-hydroxy-6-nitrophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107681575
4-[(2-hydroxy-6-nitrophenyl)sulfamoyl]butanoic acid
CID 107681703
2-methyl-1-nitro-3-(sulfamoylamino)benzene
CID 112573289
N-(2-hydroxy-6-nitrophenyl)-1-methylimidazole-4-sulfonamide
CID 107681543
5-ethyl-N-(2-hydroxy-6-nitrophenyl)thiophene-2-sulfonamide
CID 107681550
N-(2-hydroxy-6-nitrophenyl)prop-2-enamide
CID 107679556
N-(2-hydroxy-6-nitrophenyl)-3-oxobutanamide
CID 107681107
2-amino-N-[2-(2-hydroxy-6-nitroanilino)-2-oxoethyl]acetamide
CID 107681048
2-bromo-N-(2-hydroxy-6-nitrophenyl)propanamide
CID 107906031
2-hydroxy-3-nitro-N-(2-sulfamoylethyl)benzamide
CID 103800076
N-(2-hydroxy-6-nitrophenyl)but-3-enamide
CID 107681224

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-3-nitro-2-(sulfamoylamino)benzene?
The IUPAC name of 1-hydroxy-3-nitro-2-(sulfamoylamino)benzene (CID 107681501) is 1-hydroxy-3-nitro-2-(sulfamoylamino)benzene.
What is the SMILES notation for 1-hydroxy-3-nitro-2-(sulfamoylamino)benzene?
The canonical SMILES for 1-hydroxy-3-nitro-2-(sulfamoylamino)benzene is NS(=O)(=O)Nc1c(O)cccc1[N+](=O)[O-].
What is the InChIKey of 1-hydroxy-3-nitro-2-(sulfamoylamino)benzene?
The InChIKey is OXAXEDBKRUZITN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O5S/c7-15(13,14)8-6-4(9(11)12)2-1-3-5(6)10/h1-3,8,10H,(H2,7,13,14).
What are the key properties of 1-hydroxy-3-nitro-2-(sulfamoylamino)benzene?
1-hydroxy-3-nitro-2-(sulfamoylamino)benzene has a molecular weight of 233.21 g/mol, XLogP of -0.08, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-3-nitro-2-(sulfamoylamino)benzene is sourced from PubChem (CID 107681501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).