2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide

C5H6F3N3O2S — CID 164660968

IUPAC2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)3-14(12,13)11-4-1-9-10-2-4/h1-2,11H,3H2,(H,9,10)
InChIKeyIVWZJDGVDXGQAY-UHFFFAOYSA-N
MW229.18 g/mol
LogP0.71
Rot. Bonds3

About 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide

2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide (PubChem CID 164660968) has the molecular formula C5H6F3N3O2S and a molecular weight of 229.18 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide
PubChem CID164660968
Molecular FormulaC5H6F3N3O2S
Molecular Weight229.18 g/mol
Exact Mass229.01
IUPAC Name2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide
SMILESO=S(=O)(CC(F)(F)F)Nc1cn[nH]c1
InChIInChI=1S/C5H6F3N3O2S/c6-5(7,8)3-14(12,13)11-4-1-9-10-2-4/h1-2,11H,3H2,(H,9,10)
InChIKeyIVWZJDGVDXGQAY-UHFFFAOYSA-N
XLogP0.71
TPSA74.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.18
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1H-pyrazol-4-yl)propane-2-sulfonamide
CID 60865307
4-butan-2-yl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532769
N-fluoro-1H-pyrazol-4-amine
CID 145171249
4-methylsulfonyl-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532785
N-(3-aminophenyl)-2,2,2-trifluoroethanesulfonamide
CID 20650751
3,5-dichloro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43532761
N-(1H-pyrazol-4-yl)-3-(2,2,2-trifluoroethoxy)propanamide
CID 43540442
2-(methylamino)-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 62145901
3-amino-2,2-difluoro-N-(1H-pyrazol-4-yl)propanamide
CID 130600837
5-methyl-3-(methylaminomethyl)-N-(1H-pyrazol-4-yl)-1H-pyrazole-4-sulfonamide
CID 114134468
2-hydrazinyl-N-(1H-pyrazol-4-yl)pyrimidine-5-sulfonamide
CID 61328332
3-amino-4-fluoro-N-(1H-pyrazol-4-yl)benzenesulfonamide
CID 43539756

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide?
The IUPAC name of 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide (CID 164660968) is 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide?
The canonical SMILES for 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide is O=S(=O)(CC(F)(F)F)Nc1cn[nH]c1.
What is the InChIKey of 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide?
The InChIKey is IVWZJDGVDXGQAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F3N3O2S/c6-5(7,8)3-14(12,13)11-4-1-9-10-2-4/h1-2,11H,3H2,(H,9,10).
What are the key properties of 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide?
2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide has a molecular weight of 229.18 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(1H-pyrazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 164660968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).