1-nitro-4-(sulfamoylamino)benzene

C6H7N3O4S — CID 612414

IUPAC1-nitro-4-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H7N3O4S/c7-14(12,13)8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,(H2,7,12,13)
InChIKeyRAXPQAODVUNKFW-UHFFFAOYSA-N
MW217.21 g/mol
LogP0.21
Rot. Bonds3

About 1-nitro-4-(sulfamoylamino)benzene

1-nitro-4-(sulfamoylamino)benzene (PubChem CID 612414) has the molecular formula C6H7N3O4S and a molecular weight of 217.21 g/mol. Its IUPAC name is 1-nitro-4-(sulfamoylamino)benzene.

Molecular Properties

Compound Name1-nitro-4-(sulfamoylamino)benzene
PubChem CID612414
Molecular FormulaC6H7N3O4S
Molecular Weight217.21 g/mol
Exact Mass217.02
IUPAC Name1-nitro-4-(sulfamoylamino)benzene
SMILESNS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C6H7N3O4S/c7-14(12,13)8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,(H2,7,12,13)
InChIKeyRAXPQAODVUNKFW-UHFFFAOYSA-N
XLogP0.21
TPSA115.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 1-nitro-4-(sulfamoylamino)benzene?
The IUPAC name of 1-nitro-4-(sulfamoylamino)benzene (CID 612414) is 1-nitro-4-(sulfamoylamino)benzene.
What is the SMILES notation for 1-nitro-4-(sulfamoylamino)benzene?
The canonical SMILES for 1-nitro-4-(sulfamoylamino)benzene is NS(=O)(=O)Nc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of 1-nitro-4-(sulfamoylamino)benzene?
The InChIKey is RAXPQAODVUNKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3O4S/c7-14(12,13)8-5-1-3-6(4-2-5)9(10)11/h1-4,8H,(H2,7,12,13).
What are the key properties of 1-nitro-4-(sulfamoylamino)benzene?
1-nitro-4-(sulfamoylamino)benzene has a molecular weight of 217.21 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-4-(sulfamoylamino)benzene is sourced from PubChem (CID 612414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).