cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid

C11H11Cl2NO5S — CID 174719402

IUPACcyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid
SMILESO=C(OC1CCC1)N(c1cccc(Cl)c1Cl)S(=O)(=O)O
InChIInChI=1S/C11H11Cl2NO5S/c12-8-5-2-6-9(10(8)13)14(20(16,17)18)11(15)19-7-3-1-4-7/h2,5-7H,1,3-4H2,(H,16,17,18)
InChIKeyQTBSSOSHQOXEMV-UHFFFAOYSA-N
MW340.18 g/mol
LogP3.29
Rot. Bonds3

About cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid

cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid (PubChem CID 174719402) has the molecular formula C11H11Cl2NO5S and a molecular weight of 340.18 g/mol. Its IUPAC name is cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid.

Molecular Properties

Compound Namecyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid
PubChem CID174719402
Molecular FormulaC11H11Cl2NO5S
Molecular Weight340.18 g/mol
Exact Mass338.97
IUPAC Namecyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid
SMILESO=C(OC1CCC1)N(c1cccc(Cl)c1Cl)S(=O)(=O)O
InChIInChI=1S/C11H11Cl2NO5S/c12-8-5-2-6-9(10(8)13)14(20(16,17)18)11(15)19-7-3-1-4-7/h2,5-7H,1,3-4H2,(H,16,17,18)
InChIKeyQTBSSOSHQOXEMV-UHFFFAOYSA-N
XLogP3.29
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.18
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid?
The IUPAC name of cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid (CID 174719402) is cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid.
What is the SMILES notation for cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid?
The canonical SMILES for cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid is O=C(OC1CCC1)N(c1cccc(Cl)c1Cl)S(=O)(=O)O.
What is the InChIKey of cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid?
The InChIKey is QTBSSOSHQOXEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO5S/c12-8-5-2-6-9(10(8)13)14(20(16,17)18)11(15)19-7-3-1-4-7/h2,5-7H,1,3-4H2,(H,16,17,18).
What are the key properties of cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid?
cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid has a molecular weight of 340.18 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyloxycarbonyl-(2,3-dichlorophenyl)sulfamic acid is sourced from PubChem (CID 174719402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).