N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide

C6H8F3N3O2S — CID 102692998

IUPACN-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C6H8F3N3O2S/c7-6(8,9)2-4-11-15(13,14)5-1-3-10-12-5/h1,3,11H,2,4H2,(H,10,12)
InChIKeyRFYCQYJQKNNTEB-UHFFFAOYSA-N
MW243.21 g/mol
LogP0.64
Rot. Bonds4

About N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide

N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102692998) has the molecular formula C6H8F3N3O2S and a molecular weight of 243.21 g/mol. Its IUPAC name is N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
PubChem CID102692998
Molecular FormulaC6H8F3N3O2S
Molecular Weight243.21 g/mol
Exact Mass243.03
IUPAC NameN-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide
SMILESO=S(=O)(NCCC(F)(F)F)c1ccn[nH]1
InChIInChI=1S/C6H8F3N3O2S/c7-6(8,9)2-4-11-15(13,14)5-1-3-10-12-5/h1,3,11H,2,4H2,(H,10,12)
InChIKeyRFYCQYJQKNNTEB-UHFFFAOYSA-N
XLogP0.64
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.21
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide (CID 102692998) is N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide is O=S(=O)(NCCC(F)(F)F)c1ccn[nH]1.
What is the InChIKey of N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is RFYCQYJQKNNTEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N3O2S/c7-6(8,9)2-4-11-15(13,14)5-1-3-10-12-5/h1,3,11H,2,4H2,(H,10,12).
What are the key properties of N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide?
N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 243.21 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoropropyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102692998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).