N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide

C10H9F2N3O2S — CID 67655199

IUPACN-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC(F)F)c1ccccc1-n1cccn1
InChIInChI=1S/C10H9F2N3O2S/c11-10(12)14-18(16,17)9-5-2-1-4-8(9)15-7-3-6-13-15/h1-7,10,14H
InChIKeyDIUAKIITVGSERC-UHFFFAOYSA-N
MW273.26 g/mol
LogP1.37
Rot. Bonds4

About N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide

N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide (PubChem CID 67655199) has the molecular formula C10H9F2N3O2S and a molecular weight of 273.26 g/mol. Its IUPAC name is N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide
PubChem CID67655199
Molecular FormulaC10H9F2N3O2S
Molecular Weight273.26 g/mol
Exact Mass273.04
IUPAC NameN-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NC(F)F)c1ccccc1-n1cccn1
InChIInChI=1S/C10H9F2N3O2S/c11-10(12)14-18(16,17)9-5-2-1-4-8(9)15-7-3-6-13-15/h1-7,10,14H
InChIKeyDIUAKIITVGSERC-UHFFFAOYSA-N
XLogP1.37
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide (CID 67655199) is N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NC(F)F)c1ccccc1-n1cccn1.
What is the InChIKey of N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is DIUAKIITVGSERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O2S/c11-10(12)14-18(16,17)9-5-2-1-4-8(9)15-7-3-6-13-15/h1-7,10,14H.
What are the key properties of N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide?
N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 273.26 g/mol, XLogP of 1.37, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(difluoromethyl)-2-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 67655199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).