1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide

C15H22F3N3O2S — CID 136532485

IUPAC1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C2
InChIInChI=1S/C15H22F3N3O2S/c1-13(2)10-4-5-14(13,3)12(6-10)20-24(22,23)11-7-19-21(8-11)9-15(16,17)18/h7-8,10,12,20H,4-6,9H2,1-3H3
InChIKeyBBCOMIMOCNVYAM-UHFFFAOYSA-N
MW365.42 g/mol
LogP2.94
Rot. Bonds4

About 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide

1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide (PubChem CID 136532485) has the molecular formula C15H22F3N3O2S and a molecular weight of 365.42 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide
PubChem CID136532485
Molecular FormulaC15H22F3N3O2S
Molecular Weight365.42 g/mol
Exact Mass365.14
IUPAC Name1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide
SMILESCC1(C)C2CCC1(C)C(NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C2
InChIInChI=1S/C15H22F3N3O2S/c1-13(2)10-4-5-14(13,3)12(6-10)20-24(22,23)11-7-19-21(8-11)9-15(16,17)18/h7-8,10,12,20H,4-6,9H2,1-3H3
InChIKeyBBCOMIMOCNVYAM-UHFFFAOYSA-N
XLogP2.94
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.42
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide with MolForge

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Related Compounds

N-(2,2,2-trifluoroethyl)-4-[(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)sulfamoyl]benzamide
CID 55353239
4-methylsulfonyl-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 60540246
N-pyrrolidin-3-yl-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120707592
4-(4,5-dichloro-6-oxopyridazin-1-yl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)benzenesulfonamide
CID 60540247
N-[4-[[(1R,2S,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]sulfamoyl]phenyl]acetamide
CID 23308718
N-(2-amino-1-cyclopropylethyl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120711275
N-[3-(methylamino)propyl]-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide;hydrochloride
CID 120707265
4,4-dimethyl-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclohexane-1-sulfonamide
CID 75499050
N-(4,4-dimethylcyclohexyl)-1-[2-(methylamino)ethyl]pyrazole-4-sulfonamide
CID 106068959
1,7,7-trimethyl-N-[2-(4-methylpyrazol-1-yl)ethyl]bicyclo[2.2.1]heptan-2-amine
CID 103871913
N-(6-amino-1,2,3,4-tetrahydronaphthalen-1-yl)-1-(2,2,2-trifluoroethyl)pyrazole-4-sulfonamide
CID 120722213
3,5-dimethyl-N-[(1R,2R,4S)-1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl]-1,2-oxazole-4-sulfonamide
CID 98393451

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide (CID 136532485) is 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide is CC1(C)C2CCC1(C)C(NS(=O)(=O)c1cnn(CC(F)(F)F)c1)C2.
What is the InChIKey of 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide?
The InChIKey is BBCOMIMOCNVYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3O2S/c1-13(2)10-4-5-14(13,3)12(6-10)20-24(22,23)11-7-19-21(8-11)9-15(16,17)18/h7-8,10,12,20H,4-6,9H2,1-3H3.
What are the key properties of 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide?
1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide has a molecular weight of 365.42 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethyl)-N-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 136532485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).