3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide

C11H11F2N3O2S — CID 55127335

IUPAC3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide
SMILESCc1cccc(-n2nc(C(F)F)cc2S(N)(=O)=O)c1
InChIInChI=1S/C11H11F2N3O2S/c1-7-3-2-4-8(5-7)16-10(19(14,17)18)6-9(15-16)11(12)13/h2-6,11H,1H3,(H2,14,17,18)
InChIKeyPSMXEGIZQKXWOC-UHFFFAOYSA-N
MW287.29 g/mol
LogP1.77
Rot. Bonds3

About 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide

3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide (PubChem CID 55127335) has the molecular formula C11H11F2N3O2S and a molecular weight of 287.29 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide
PubChem CID55127335
Molecular FormulaC11H11F2N3O2S
Molecular Weight287.29 g/mol
Exact Mass287.05
IUPAC Name3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide
SMILESCc1cccc(-n2nc(C(F)F)cc2S(N)(=O)=O)c1
InChIInChI=1S/C11H11F2N3O2S/c1-7-3-2-4-8(5-7)16-10(19(14,17)18)6-9(15-16)11(12)13/h2-6,11H,1H3,(H2,14,17,18)
InChIKeyPSMXEGIZQKXWOC-UHFFFAOYSA-N
XLogP1.77
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide (CID 55127335) is 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide is Cc1cccc(-n2nc(C(F)F)cc2S(N)(=O)=O)c1.
What is the InChIKey of 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide?
The InChIKey is PSMXEGIZQKXWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O2S/c1-7-3-2-4-8(5-7)16-10(19(14,17)18)6-9(15-16)11(12)13/h2-6,11H,1H3,(H2,14,17,18).
What are the key properties of 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide?
3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide has a molecular weight of 287.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-(3-methylphenyl)pyrazole-5-sulfonamide is sourced from PubChem (CID 55127335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).