2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide

C16H18FN3O3S — CID 167935972

IUPAC2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CS(=O)(=O)c2ccc(C3CC3)cc2F)n(C)n1
InChIInChI=1S/C16H18FN3O3S/c1-10-7-15(20(2)19-10)18-16(21)9-24(22,23)14-6-5-12(8-13(14)17)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,18,21)
InChIKeyPIMANICABZQGMJ-UHFFFAOYSA-N
MW351.40 g/mol
LogP2.16
Rot. Bonds5

About 2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide

2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide (PubChem CID 167935972) has the molecular formula C16H18FN3O3S and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
PubChem CID167935972
Molecular FormulaC16H18FN3O3S
Molecular Weight351.40 g/mol
Exact Mass351.11
IUPAC Name2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide
SMILESCc1cc(NC(=O)CS(=O)(=O)c2ccc(C3CC3)cc2F)n(C)n1
InChIInChI=1S/C16H18FN3O3S/c1-10-7-15(20(2)19-10)18-16(21)9-24(22,23)14-6-5-12(8-13(14)17)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,18,21)
InChIKeyPIMANICABZQGMJ-UHFFFAOYSA-N
XLogP2.16
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[cycloheptyl(methyl)amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 36803387
N-(2,5-dimethylpyrazol-3-yl)-2-(ethylamino)acetamide
CID 60703413
3-cyclopentyl-N-(2,5-dimethylpyrazol-3-yl)propanamide
CID 35291168
2-[[(2R,3S)-2-(4-chlorophenyl)oxolan-3-yl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 99835166
N-(2,5-dimethylpyrazol-3-yl)-3-(4-methylphenyl)sulfonylpropanamide
CID 42109664
N-(2,5-dimethylpyrazol-3-yl)-2-(2-methylphenyl)acetamide
CID 51307661
1-(2,5-difluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)piperidine-4-carboxamide
CID 55601726
N-(2,5-dimethylpyrazol-3-yl)-2-(4-methylpiperidin-1-yl)acetamide
CID 36800668
2-(4-aminopiperidin-1-yl)-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 79332492
2-[cyclopropyl-[(1R)-1-(2-fluorophenyl)ethyl]amino]-N-(2,5-dimethylpyrazol-3-yl)acetamide
CID 95294341
N-(3-cyclopropyl-1-methylpyrazol-5-yl)-2-(2,4-difluorophenyl)sulfonyl-2-methylpropanamide
CID 58198380
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]-2-fluorobenzenesulfonyl chloride
CID 66128821

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide (CID 167935972) is 2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide is Cc1cc(NC(=O)CS(=O)(=O)c2ccc(C3CC3)cc2F)n(C)n1.
What is the InChIKey of 2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
The InChIKey is PIMANICABZQGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O3S/c1-10-7-15(20(2)19-10)18-16(21)9-24(22,23)14-6-5-12(8-13(14)17)11-3-4-11/h5-8,11H,3-4,9H2,1-2H3,(H,18,21).
What are the key properties of 2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide?
2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide has a molecular weight of 351.40 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-2-fluorophenyl)sulfonyl-N-(2,5-dimethylpyrazol-3-yl)acetamide is sourced from PubChem (CID 167935972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).