[1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate

C11H11F2NO4S — CID 87106316

IUPAC[1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate
SMILESCS(=O)(=O)Nc1cc(C2(OC=O)CC2)c(F)cc1F
InChIInChI=1S/C11H11F2NO4S/c1-19(16,17)14-10-4-7(8(12)5-9(10)13)11(2-3-11)18-6-15/h4-6,14H,2-3H2,1H3
InChIKeyVZHZILOKJIRBDJ-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.50
Rot. Bonds5

About [1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate

[1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate (PubChem CID 87106316) has the molecular formula C11H11F2NO4S and a molecular weight of 291.28 g/mol. Its IUPAC name is [1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate.

Molecular Properties

Compound Name[1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate
PubChem CID87106316
Molecular FormulaC11H11F2NO4S
Molecular Weight291.28 g/mol
Exact Mass291.04
IUPAC Name[1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate
SMILESCS(=O)(=O)Nc1cc(C2(OC=O)CC2)c(F)cc1F
InChIInChI=1S/C11H11F2NO4S/c1-19(16,17)14-10-4-7(8(12)5-9(10)13)11(2-3-11)18-6-15/h4-6,14H,2-3H2,1H3
InChIKeyVZHZILOKJIRBDJ-UHFFFAOYSA-N
XLogP1.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate?
The IUPAC name of [1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate (CID 87106316) is [1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate.
What is the SMILES notation for [1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate?
The canonical SMILES for [1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate is CS(=O)(=O)Nc1cc(C2(OC=O)CC2)c(F)cc1F.
What is the InChIKey of [1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate?
The InChIKey is VZHZILOKJIRBDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO4S/c1-19(16,17)14-10-4-7(8(12)5-9(10)13)11(2-3-11)18-6-15/h4-6,14H,2-3H2,1H3.
What are the key properties of [1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate?
[1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate has a molecular weight of 291.28 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,4-difluoro-5-(methanesulfonamido)phenyl]cyclopropyl] formate is sourced from PubChem (CID 87106316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).