N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide

C11H12F2N2O3S — CID 91088285

IUPACN'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)N(NC(=O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C11H12F2N2O3S/c1-19(17,18)15(7-5-6-7)14-11(16)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,16)
InChIKeySONBORDFRKQXNL-UHFFFAOYSA-N
MW290.29 g/mol
LogP1.03
Rot. Bonds4

About N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide

N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide (PubChem CID 91088285) has the molecular formula C11H12F2N2O3S and a molecular weight of 290.29 g/mol. Its IUPAC name is N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide.

Molecular Properties

Compound NameN'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide
PubChem CID91088285
Molecular FormulaC11H12F2N2O3S
Molecular Weight290.29 g/mol
Exact Mass290.05
IUPAC NameN'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide
SMILESCS(=O)(=O)N(NC(=O)c1c(F)cccc1F)C1CC1
InChIInChI=1S/C11H12F2N2O3S/c1-19(17,18)15(7-5-6-7)14-11(16)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,16)
InChIKeySONBORDFRKQXNL-UHFFFAOYSA-N
XLogP1.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide?
The IUPAC name of N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide (CID 91088285) is N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide.
What is the SMILES notation for N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide?
The canonical SMILES for N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide is CS(=O)(=O)N(NC(=O)c1c(F)cccc1F)C1CC1.
What is the InChIKey of N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide?
The InChIKey is SONBORDFRKQXNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2O3S/c1-19(17,18)15(7-5-6-7)14-11(16)10-8(12)3-2-4-9(10)13/h2-4,7H,5-6H2,1H3,(H,14,16).
What are the key properties of N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide?
N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide has a molecular weight of 290.29 g/mol, XLogP of 1.03, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-2,6-difluoro-N'-methylsulfonylbenzohydrazide is sourced from PubChem (CID 91088285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).