N-[4-(hydroxysulfamoyl)phenyl]formamide

C7H8N2O4S — CID 89316747

IUPACN-[4-(hydroxysulfamoyl)phenyl]formamide
SMILESO=CNc1ccc(S(=O)(=O)NO)cc1
InChIInChI=1S/C7H8N2O4S/c10-5-8-6-1-3-7(4-2-6)14(12,13)9-11/h1-5,9,11H,(H,8,10)
InChIKeyIMTUOIHEHKYRDB-UHFFFAOYSA-N
MW216.22 g/mol
LogP-0.08
Rot. Bonds4

About N-[4-(hydroxysulfamoyl)phenyl]formamide

N-[4-(hydroxysulfamoyl)phenyl]formamide (PubChem CID 89316747) has the molecular formula C7H8N2O4S and a molecular weight of 216.22 g/mol. Its IUPAC name is N-[4-(hydroxysulfamoyl)phenyl]formamide.

Molecular Properties

Compound NameN-[4-(hydroxysulfamoyl)phenyl]formamide
PubChem CID89316747
Molecular FormulaC7H8N2O4S
Molecular Weight216.22 g/mol
Exact Mass216.02
IUPAC NameN-[4-(hydroxysulfamoyl)phenyl]formamide
SMILESO=CNc1ccc(S(=O)(=O)NO)cc1
InChIInChI=1S/C7H8N2O4S/c10-5-8-6-1-3-7(4-2-6)14(12,13)9-11/h1-5,9,11H,(H,8,10)
InChIKeyIMTUOIHEHKYRDB-UHFFFAOYSA-N
XLogP-0.08
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', '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 N-[4-(hydroxysulfamoyl)phenyl]formamide?
The IUPAC name of N-[4-(hydroxysulfamoyl)phenyl]formamide (CID 89316747) is N-[4-(hydroxysulfamoyl)phenyl]formamide.
What is the SMILES notation for N-[4-(hydroxysulfamoyl)phenyl]formamide?
The canonical SMILES for N-[4-(hydroxysulfamoyl)phenyl]formamide is O=CNc1ccc(S(=O)(=O)NO)cc1.
What is the InChIKey of N-[4-(hydroxysulfamoyl)phenyl]formamide?
The InChIKey is IMTUOIHEHKYRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O4S/c10-5-8-6-1-3-7(4-2-6)14(12,13)9-11/h1-5,9,11H,(H,8,10).
What are the key properties of N-[4-(hydroxysulfamoyl)phenyl]formamide?
N-[4-(hydroxysulfamoyl)phenyl]formamide has a molecular weight of 216.22 g/mol, XLogP of -0.08, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(hydroxysulfamoyl)phenyl]formamide is sourced from PubChem (CID 89316747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).