5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

C5H7F3N4O2S — CID 60809737

IUPAC5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H7F3N4O2S/c6-5(7,8)2-11-15(13,14)3-1-10-12-4(3)9/h1,11H,2H2,(H3,9,10,12)
InChIKeyIAHNPVLWDYNAJF-UHFFFAOYSA-N
MW244.20 g/mol
LogP-0.17
Rot. Bonds3

About 5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide

5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (PubChem CID 60809737) has the molecular formula C5H7F3N4O2S and a molecular weight of 244.20 g/mol. Its IUPAC name is 5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
PubChem CID60809737
Molecular FormulaC5H7F3N4O2S
Molecular Weight244.20 g/mol
Exact Mass244.02
IUPAC Name5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide
SMILESNc1[nH]ncc1S(=O)(=O)NCC(F)(F)F
InChIInChI=1S/C5H7F3N4O2S/c6-5(7,8)2-11-15(13,14)3-1-10-12-4(3)9/h1,11H,2H2,(H3,9,10,12)
InChIKeyIAHNPVLWDYNAJF-UHFFFAOYSA-N
XLogP-0.17
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The IUPAC name of 5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide (CID 60809737) is 5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide.
What is the SMILES notation for 5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The canonical SMILES for 5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is Nc1[nH]ncc1S(=O)(=O)NCC(F)(F)F.
What is the InChIKey of 5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
The InChIKey is IAHNPVLWDYNAJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F3N4O2S/c6-5(7,8)2-11-15(13,14)3-1-10-12-4(3)9/h1,11H,2H2,(H3,9,10,12).
What are the key properties of 5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide?
5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide has a molecular weight of 244.20 g/mol, XLogP of -0.17, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-sulfonamide is sourced from PubChem (CID 60809737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).