N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide

C5H7F2N3O2S — CID 102693244

IUPACN-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccn[nH]1
InChIInChI=1S/C5H7F2N3O2S/c6-4(7)3-9-13(11,12)5-1-2-8-10-5/h1-2,4,9H,3H2,(H,8,10)
InChIKeyJUIXDUGKLANYBS-UHFFFAOYSA-N
MW211.19 g/mol
LogP-0.05
Rot. Bonds4

About N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide

N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693244) has the molecular formula C5H7F2N3O2S and a molecular weight of 211.19 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide
PubChem CID102693244
Molecular FormulaC5H7F2N3O2S
Molecular Weight211.19 g/mol
Exact Mass211.02
IUPAC NameN-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCC(F)F)c1ccn[nH]1
InChIInChI=1S/C5H7F2N3O2S/c6-4(7)3-9-13(11,12)5-1-2-8-10-5/h1-2,4,9H,3H2,(H,8,10)
InChIKeyJUIXDUGKLANYBS-UHFFFAOYSA-N
XLogP-0.05
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide (CID 102693244) is N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCC(F)F)c1ccn[nH]1.
What is the InChIKey of N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is JUIXDUGKLANYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F2N3O2S/c6-4(7)3-9-13(11,12)5-1-2-8-10-5/h1-2,4,9H,3H2,(H,8,10).
What are the key properties of N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide?
N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 211.19 g/mol, XLogP of -0.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).