N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide

C9H8F3N3O2S2 — CID 4775335

IUPACN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1cccs1
InChIInChI=1S/C9H8F3N3O2S2/c10-9(11,12)6-15-5-7(4-13-15)14-19(16,17)8-2-1-3-18-8/h1-5,14H,6H2
InChIKeyNWAJMIPHMOQABU-UHFFFAOYSA-N
MW311.31 g/mol
LogP2.31
Rot. Bonds4

About N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide

N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide (PubChem CID 4775335) has the molecular formula C9H8F3N3O2S2 and a molecular weight of 311.31 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide
PubChem CID4775335
Molecular FormulaC9H8F3N3O2S2
Molecular Weight311.31 g/mol
Exact Mass311.00
IUPAC NameN-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1cccs1
InChIInChI=1S/C9H8F3N3O2S2/c10-9(11,12)6-15-5-7(4-13-15)14-19(16,17)8-2-1-3-18-8/h1-5,14H,6H2
InChIKeyNWAJMIPHMOQABU-UHFFFAOYSA-N
XLogP2.31
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 71808060
N-cyclopentyl-N-(2-(3-(trifluoromethyl)-1H-pyrazol-1-yl)ethyl)thiophene-2-sulfonamide
CID 121020236
5-chloro-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]-4-methylthiophene-2-sulfonamide
CID 91651933
1-(2,2-difluoroethyl)-N-(thiophen-3-ylmethyl)pyrazol-4-amine
CID 115742598
N-[2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 121588705
N-[(1R)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 125139499
N-[(1S)-2,2,2-trifluoro-1-(1-methylpyrazol-4-yl)ethyl]thiophene-2-sulfonamide
CID 125139500
5-chloro-N-(3,3-difluoro-2-pyrazol-1-ylpropyl)thiophene-2-sulfonamide
CID 138013467
N-cyclohexyl-N-thiophen-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 139010482
N-[1-(1-cyclopropylethyl)pyrazol-4-yl]-4-(difluoromethyl)thiophene-3-sulfonamide
CID 139019112
4-chloro-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-2-sulfonamide
CID 167895917
4-(difluoromethyl)-N-[3-(difluoromethyl)-1-methylpyrazol-4-yl]thiophene-3-sulfonamide
CID 167904077

Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide (CID 4775335) is N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide is O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1cccs1.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
The InChIKey is NWAJMIPHMOQABU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2S2/c10-9(11,12)6-15-5-7(4-13-15)14-19(16,17)8-2-1-3-18-8/h1-5,14H,6H2.
What are the key properties of N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide?
N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide has a molecular weight of 311.31 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]thiophene-2-sulfonamide is sourced from PubChem (CID 4775335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).