N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide

C10H13F2N3O2S — CID 168530000

IUPACN-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C=NN)c1F
InChIInChI=1S/C10H13F2N3O2S/c1-2-5-18(16,17)15-9-4-3-8(11)7(6-14-13)10(9)12/h3-4,6,15H,2,5,13H2,1H3
InChIKeyIOPFEOBEEOGREN-UHFFFAOYSA-N
MW277.30 g/mol
LogP1.41
Rot. Bonds5

About N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide

N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide (PubChem CID 168530000) has the molecular formula C10H13F2N3O2S and a molecular weight of 277.30 g/mol. Its IUPAC name is N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide
PubChem CID168530000
Molecular FormulaC10H13F2N3O2S
Molecular Weight277.30 g/mol
Exact Mass277.07
IUPAC NameN-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(F)c(C=NN)c1F
InChIInChI=1S/C10H13F2N3O2S/c1-2-5-18(16,17)15-9-4-3-8(11)7(6-14-13)10(9)12/h3-4,6,15H,2,5,13H2,1H3
InChIKeyIOPFEOBEEOGREN-UHFFFAOYSA-N
XLogP1.41
TPSA84.55 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide?
The IUPAC name of N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide (CID 168530000) is N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide.
What is the SMILES notation for N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide?
The canonical SMILES for N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(F)c(C=NN)c1F.
What is the InChIKey of N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide?
The InChIKey is IOPFEOBEEOGREN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3O2S/c1-2-5-18(16,17)15-9-4-3-8(11)7(6-14-13)10(9)12/h3-4,6,15H,2,5,13H2,1H3.
What are the key properties of N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide?
N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide has a molecular weight of 277.30 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluoro-3-methanehydrazonoylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 168530000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).