3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide

C5H8F2N4O4S2 — CID 61132906

IUPAC3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C5H8F2N4O4S2/c1-11-2-3(16(8,12)13)4(9-11)10-17(14,15)5(6)7/h2,5H,1H3,(H,9,10)(H2,8,12,13)
InChIKeyQJBZDBDYJYNOOE-UHFFFAOYSA-N
MW290.27 g/mol
LogP-0.97
Rot. Bonds4

About 3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide

3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide (PubChem CID 61132906) has the molecular formula C5H8F2N4O4S2 and a molecular weight of 290.27 g/mol. Its IUPAC name is 3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide
PubChem CID61132906
Molecular FormulaC5H8F2N4O4S2
Molecular Weight290.27 g/mol
Exact Mass290.00
IUPAC Name3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide
SMILESCn1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)F)n1
InChIInChI=1S/C5H8F2N4O4S2/c1-11-2-3(16(8,12)13)4(9-11)10-17(14,15)5(6)7/h2,5H,1H3,(H,9,10)(H2,8,12,13)
InChIKeyQJBZDBDYJYNOOE-UHFFFAOYSA-N
XLogP-0.97
TPSA124.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.27
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide?
The IUPAC name of 3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide (CID 61132906) is 3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide.
What is the SMILES notation for 3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide?
The canonical SMILES for 3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide is Cn1cc(S(N)(=O)=O)c(NS(=O)(=O)C(F)F)n1.
What is the InChIKey of 3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide?
The InChIKey is QJBZDBDYJYNOOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F2N4O4S2/c1-11-2-3(16(8,12)13)4(9-11)10-17(14,15)5(6)7/h2,5H,1H3,(H,9,10)(H2,8,12,13).
What are the key properties of 3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide?
3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide has a molecular weight of 290.27 g/mol, XLogP of -0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonylamino)-1-methylpyrazole-4-sulfonamide is sourced from PubChem (CID 61132906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).