3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide

C7H11F2N3O2S — CID 62890516

IUPAC3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide
SMILESCCCn1nc(C(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C7H11F2N3O2S/c1-2-3-12-6(15(10,13)14)4-5(11-12)7(8)9/h4,7H,2-3H2,1H3,(H2,10,13,14)
InChIKeyXRDKNVSUOMELSP-UHFFFAOYSA-N
MW239.25 g/mol
LogP0.88
Rot. Bonds4

About 3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide

3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide (PubChem CID 62890516) has the molecular formula C7H11F2N3O2S and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide
PubChem CID62890516
Molecular FormulaC7H11F2N3O2S
Molecular Weight239.25 g/mol
Exact Mass239.05
IUPAC Name3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide
SMILESCCCn1nc(C(F)F)cc1S(N)(=O)=O
InChIInChI=1S/C7H11F2N3O2S/c1-2-3-12-6(15(10,13)14)4-5(11-12)7(8)9/h4,7H,2-3H2,1H3,(H2,10,13,14)
InChIKeyXRDKNVSUOMELSP-UHFFFAOYSA-N
XLogP0.88
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide?
The IUPAC name of 3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide (CID 62890516) is 3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide.
What is the SMILES notation for 3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide?
The canonical SMILES for 3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide is CCCn1nc(C(F)F)cc1S(N)(=O)=O.
What is the InChIKey of 3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide?
The InChIKey is XRDKNVSUOMELSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2N3O2S/c1-2-3-12-6(15(10,13)14)4-5(11-12)7(8)9/h4,7H,2-3H2,1H3,(H2,10,13,14).
What are the key properties of 3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide?
3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide has a molecular weight of 239.25 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1-propylpyrazole-5-sulfonamide is sourced from PubChem (CID 62890516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).