phenylsulfamoylformic acid

C7H7NO4S — CID 57244146

IUPACphenylsulfamoylformic acid
SMILESO=C(O)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C7H7NO4S/c9-7(10)13(11,12)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)
InChIKeyLYOXZZRSANOKFJ-UHFFFAOYSA-N
MW201.20 g/mol
LogP1.11
Rot. Bonds2

About phenylsulfamoylformic acid

phenylsulfamoylformic acid (PubChem CID 57244146) has the molecular formula C7H7NO4S and a molecular weight of 201.20 g/mol. Its IUPAC name is phenylsulfamoylformic acid.

Molecular Properties

Compound Namephenylsulfamoylformic acid
PubChem CID57244146
Molecular FormulaC7H7NO4S
Molecular Weight201.20 g/mol
Exact Mass201.01
IUPAC Namephenylsulfamoylformic acid
SMILESO=C(O)S(=O)(=O)Nc1ccccc1
InChIInChI=1S/C7H7NO4S/c9-7(10)13(11,12)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10)
InChIKeyLYOXZZRSANOKFJ-UHFFFAOYSA-N
XLogP1.11
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

phenylsulfamic acid
CID 160771078
1-N,4-N-bis(phenylsulfamoyl)benzene-1,4-diamine
CID 139179736
benzene;(sulfamoylamino)benzene
CID 174742453
N-phenylsulfamoyl chloride
CID 11564615
CID 23176875
CID 23176875
methyl acetate;(sulfamoylamino)benzene
CID 174769394
N-phenylaniline;sulfuric acid
CID 11486
(fluorosulfonylsulfonylamino)benzene
CID 18785310
ethane;N-(methylsulfamoyl)aniline
CID 91119809
1,1,1-tribromo-N-phenylmethanesulfonamide
CID 23576861
2-methyl-5-(phenylsulfamoyl)benzamide
CID 870864
4-(phenylsulfamoyl)benzoate
CID 6997297

Frequently Asked Questions

What is the IUPAC name of phenylsulfamoylformic acid?
The IUPAC name of phenylsulfamoylformic acid (CID 57244146) is phenylsulfamoylformic acid.
What is the SMILES notation for phenylsulfamoylformic acid?
The canonical SMILES for phenylsulfamoylformic acid is O=C(O)S(=O)(=O)Nc1ccccc1.
What is the InChIKey of phenylsulfamoylformic acid?
The InChIKey is LYOXZZRSANOKFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4S/c9-7(10)13(11,12)8-6-4-2-1-3-5-6/h1-5,8H,(H,9,10).
What are the key properties of phenylsulfamoylformic acid?
phenylsulfamoylformic acid has a molecular weight of 201.20 g/mol, XLogP of 1.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenylsulfamoylformic acid is sourced from PubChem (CID 57244146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).