(3-sulfamoylphenyl) cyclopropanecarboxylate

C10H11NO4S — CID 175230114

IUPAC(3-sulfamoylphenyl) cyclopropanecarboxylate
SMILESNS(=O)(=O)c1cccc(OC(=O)C2CC2)c1
InChIInChI=1S/C10H11NO4S/c11-16(13,14)9-3-1-2-8(6-9)15-10(12)7-4-5-7/h1-3,6-7H,4-5H2,(H2,11,13,14)
InChIKeyVYYPLZQGHLAXRQ-UHFFFAOYSA-N
MW241.27 g/mol
LogP0.65
Rot. Bonds3

About (3-sulfamoylphenyl) cyclopropanecarboxylate

(3-sulfamoylphenyl) cyclopropanecarboxylate (PubChem CID 175230114) has the molecular formula C10H11NO4S and a molecular weight of 241.27 g/mol. Its IUPAC name is (3-sulfamoylphenyl) cyclopropanecarboxylate.

Molecular Properties

Compound Name(3-sulfamoylphenyl) cyclopropanecarboxylate
PubChem CID175230114
Molecular FormulaC10H11NO4S
Molecular Weight241.27 g/mol
Exact Mass241.04
IUPAC Name(3-sulfamoylphenyl) cyclopropanecarboxylate
SMILESNS(=O)(=O)c1cccc(OC(=O)C2CC2)c1
InChIInChI=1S/C10H11NO4S/c11-16(13,14)9-3-1-2-8(6-9)15-10(12)7-4-5-7/h1-3,6-7H,4-5H2,(H2,11,13,14)
InChIKeyVYYPLZQGHLAXRQ-UHFFFAOYSA-N
XLogP0.65
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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naphthalen-2-yl cyclopropanecarboxylate
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CID 68601834
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CID 21495442
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[3-(1,3-dioxoisoindol-2-yl)phenyl] cyclopropanecarboxylate
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(3-acetylphenyl) cyclohexanecarboxylate
CID 86975498
(3-prop-2-enoyloxyphenyl) cyclohexanecarboxylate
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Frequently Asked Questions

What is the IUPAC name of (3-sulfamoylphenyl) cyclopropanecarboxylate?
The IUPAC name of (3-sulfamoylphenyl) cyclopropanecarboxylate (CID 175230114) is (3-sulfamoylphenyl) cyclopropanecarboxylate.
What is the SMILES notation for (3-sulfamoylphenyl) cyclopropanecarboxylate?
The canonical SMILES for (3-sulfamoylphenyl) cyclopropanecarboxylate is NS(=O)(=O)c1cccc(OC(=O)C2CC2)c1.
What is the InChIKey of (3-sulfamoylphenyl) cyclopropanecarboxylate?
The InChIKey is VYYPLZQGHLAXRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S/c11-16(13,14)9-3-1-2-8(6-9)15-10(12)7-4-5-7/h1-3,6-7H,4-5H2,(H2,11,13,14).
What are the key properties of (3-sulfamoylphenyl) cyclopropanecarboxylate?
(3-sulfamoylphenyl) cyclopropanecarboxylate has a molecular weight of 241.27 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-sulfamoylphenyl) cyclopropanecarboxylate is sourced from PubChem (CID 175230114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).