N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide

C6H10F2N4O2S — CID 102693688

IUPACN-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H10F2N4O2S/c7-6(8,3-9)4-11-15(13,14)5-1-2-10-12-5/h1-2,11H,3-4,9H2,(H,10,12)
InChIKeyFXDXKZYUFFLTOL-UHFFFAOYSA-N
MW240.23 g/mol
LogP-0.72
Rot. Bonds5

About N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide

N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide (PubChem CID 102693688) has the molecular formula C6H10F2N4O2S and a molecular weight of 240.23 g/mol. Its IUPAC name is N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound NameN-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide
PubChem CID102693688
Molecular FormulaC6H10F2N4O2S
Molecular Weight240.23 g/mol
Exact Mass240.05
IUPAC NameN-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide
SMILESNCC(F)(F)CNS(=O)(=O)c1ccn[nH]1
InChIInChI=1S/C6H10F2N4O2S/c7-6(8,3-9)4-11-15(13,14)5-1-2-10-12-5/h1-2,11H,3-4,9H2,(H,10,12)
InChIKeyFXDXKZYUFFLTOL-UHFFFAOYSA-N
XLogP-0.72
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 5-0.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide (CID 102693688) is N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide is NCC(F)(F)CNS(=O)(=O)c1ccn[nH]1.
What is the InChIKey of N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is FXDXKZYUFFLTOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2N4O2S/c7-6(8,3-9)4-11-15(13,14)5-1-2-10-12-5/h1-2,11H,3-4,9H2,(H,10,12).
What are the key properties of N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide?
N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 240.23 g/mol, XLogP of -0.72, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-difluoropropyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 102693688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).