1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid

C10H11NO5S — CID 112558591

IUPAC1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(S(=O)(=O)NO)cc2)CC1
InChIInChI=1S/C10H11NO5S/c12-9(13)10(5-6-10)7-1-3-8(4-2-7)17(15,16)11-14/h1-4,11,14H,5-6H2,(H,12,13)
InChIKeyGPZASCTUPZKFQR-UHFFFAOYSA-N
MW257.27 g/mol
LogP0.47
Rot. Bonds4

About 1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid

1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid (PubChem CID 112558591) has the molecular formula C10H11NO5S and a molecular weight of 257.27 g/mol. Its IUPAC name is 1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid
PubChem CID112558591
Molecular FormulaC10H11NO5S
Molecular Weight257.27 g/mol
Exact Mass257.04
IUPAC Name1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid
SMILESO=C(O)C1(c2ccc(S(=O)(=O)NO)cc2)CC1
InChIInChI=1S/C10H11NO5S/c12-9(13)10(5-6-10)7-1-3-8(4-2-7)17(15,16)11-14/h1-4,11,14H,5-6H2,(H,12,13)
InChIKeyGPZASCTUPZKFQR-UHFFFAOYSA-N
XLogP0.47
TPSA103.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.27
LogP ≤ 50.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-(4-chlorosulfonylphenyl)cyclopropane-1-carboxylic acid
CID 22504886
1-[4-(3-methylbutan-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914226
1-[4-(2-methylpropylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914207
1-[4-(oxetan-3-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914288
1-[4-[[2-(methylamino)-2-oxoethyl]sulfamoyl]phenyl]cyclopropane-1-carboxylic acid
CID 115914236
1-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]cyclopropane-1-carboxylic acid
CID 115914201
1-[4-(3-hydroxy-3-methylazetidin-1-yl)sulfonylphenyl]cyclopropane-1-carboxylic acid
CID 107215582
1-(4-aminophenyl)cyclopropane-1-carboxylic acid;hydrochloride
CID 155970614
1-[4-[(2-methylsulfonylacetyl)amino]phenyl]cyclopropane-1-carboxylic acid
CID 115912899
1-[4-(2,5-dimethylpyrrol-1-yl)phenyl]cyclopropane-1-carboxylic acid
CID 112557964
1-[4-(prop-2-enylsulfonylamino)phenyl]cyclopropane-1-carboxylic acid
CID 112557954
1-(4-ethylsulfonylphenyl)cyclopropane-1-carbohydrazide
CID 116844192

Frequently Asked Questions

What is the IUPAC name of 1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The IUPAC name of 1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid (CID 112558591) is 1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid.
What is the SMILES notation for 1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The canonical SMILES for 1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid is O=C(O)C1(c2ccc(S(=O)(=O)NO)cc2)CC1.
What is the InChIKey of 1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
The InChIKey is GPZASCTUPZKFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO5S/c12-9(13)10(5-6-10)7-1-3-8(4-2-7)17(15,16)11-14/h1-4,11,14H,5-6H2,(H,12,13).
What are the key properties of 1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid?
1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid has a molecular weight of 257.27 g/mol, XLogP of 0.47, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(hydroxysulfamoyl)phenyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 112558591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).