N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide

C6H9F2N3O2S — CID 156508167

IUPACN-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cn[nH]c1C(F)F
InChIInChI=1S/C6H9F2N3O2S/c1-2-14(12,13)11-4-3-9-10-5(4)6(7)8/h3,6,11H,2H2,1H3,(H,9,10)
InChIKeyOATMHVVGCQJPSV-UHFFFAOYSA-N
MW225.22 g/mol
LogP1.11
Rot. Bonds4

About N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide

N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide (PubChem CID 156508167) has the molecular formula C6H9F2N3O2S and a molecular weight of 225.22 g/mol. Its IUPAC name is N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide.

Molecular Properties

Compound NameN-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide
PubChem CID156508167
Molecular FormulaC6H9F2N3O2S
Molecular Weight225.22 g/mol
Exact Mass225.04
IUPAC NameN-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide
SMILESCCS(=O)(=O)Nc1cn[nH]c1C(F)F
InChIInChI=1S/C6H9F2N3O2S/c1-2-14(12,13)11-4-3-9-10-5(4)6(7)8/h3,6,11H,2H2,1H3,(H,9,10)
InChIKeyOATMHVVGCQJPSV-UHFFFAOYSA-N
XLogP1.11
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 51.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide?
The IUPAC name of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide (CID 156508167) is N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide.
What is the SMILES notation for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide?
The canonical SMILES for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide is CCS(=O)(=O)Nc1cn[nH]c1C(F)F.
What is the InChIKey of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide?
The InChIKey is OATMHVVGCQJPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2N3O2S/c1-2-14(12,13)11-4-3-9-10-5(4)6(7)8/h3,6,11H,2H2,1H3,(H,9,10).
What are the key properties of N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide?
N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide has a molecular weight of 225.22 g/mol, XLogP of 1.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(difluoromethyl)-1H-pyrazol-4-yl]ethanesulfonamide is sourced from PubChem (CID 156508167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).