cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid

C11H11F2NO5S — CID 174719410

IUPACcyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid
SMILESO=C(OC1CCC1)N(c1cc(F)ccc1F)S(=O)(=O)O
InChIInChI=1S/C11H11F2NO5S/c12-7-4-5-9(13)10(6-7)14(20(16,17)18)11(15)19-8-2-1-3-8/h4-6,8H,1-3H2,(H,16,17,18)
InChIKeyAJJZFNYRCMXWBT-UHFFFAOYSA-N
MW307.27 g/mol
LogP2.26
Rot. Bonds3

About cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid

cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid (PubChem CID 174719410) has the molecular formula C11H11F2NO5S and a molecular weight of 307.27 g/mol. Its IUPAC name is cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid.

Molecular Properties

Compound Namecyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid
PubChem CID174719410
Molecular FormulaC11H11F2NO5S
Molecular Weight307.27 g/mol
Exact Mass307.03
IUPAC Namecyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid
SMILESO=C(OC1CCC1)N(c1cc(F)ccc1F)S(=O)(=O)O
InChIInChI=1S/C11H11F2NO5S/c12-7-4-5-9(13)10(6-7)14(20(16,17)18)11(15)19-8-2-1-3-8/h4-6,8H,1-3H2,(H,16,17,18)
InChIKeyAJJZFNYRCMXWBT-UHFFFAOYSA-N
XLogP2.26
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.27
LogP ≤ 52.26
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-(2,5-difluorophenyl)sulfamic acid?
The IUPAC name of cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid (CID 174719410) is cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid.
What is the SMILES notation for cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid?
The canonical SMILES for cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid is O=C(OC1CCC1)N(c1cc(F)ccc1F)S(=O)(=O)O.
What is the InChIKey of cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid?
The InChIKey is AJJZFNYRCMXWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO5S/c12-7-4-5-9(13)10(6-7)14(20(16,17)18)11(15)19-8-2-1-3-8/h4-6,8H,1-3H2,(H,16,17,18).
What are the key properties of cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid?
cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid has a molecular weight of 307.27 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyloxycarbonyl-(2,5-difluorophenyl)sulfamic acid is sourced from PubChem (CID 174719410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).