N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide

C15H18FN3O3S — CID 97108726

IUPACN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide
SMILESCc1n[nH]c(C)c1NC(=O)CS(=O)(=O)[C@@H](C)c1ccccc1F
InChIInChI=1S/C15H18FN3O3S/c1-9-15(10(2)19-18-9)17-14(20)8-23(21,22)11(3)12-6-4-5-7-13(12)16/h4-7,11H,8H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyKHDCIUATUSZDCJ-NSHDSACASA-N
MW339.39 g/mol
LogP2.28
Rot. Bonds5

About N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide

N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide (PubChem CID 97108726) has the molecular formula C15H18FN3O3S and a molecular weight of 339.39 g/mol. Its IUPAC name is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide.

Molecular Properties

Compound NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide
PubChem CID97108726
Molecular FormulaC15H18FN3O3S
Molecular Weight339.39 g/mol
Exact Mass339.11
IUPAC NameN-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide
SMILESCc1n[nH]c(C)c1NC(=O)CS(=O)(=O)[C@@H](C)c1ccccc1F
InChIInChI=1S/C15H18FN3O3S/c1-9-15(10(2)19-18-9)17-14(20)8-23(21,22)11(3)12-6-4-5-7-13(12)16/h4-7,11H,8H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1
InChIKeyKHDCIUATUSZDCJ-NSHDSACASA-N
XLogP2.28
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide?
The IUPAC name of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide (CID 97108726) is N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide.
What is the SMILES notation for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide?
The canonical SMILES for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide is Cc1n[nH]c(C)c1NC(=O)CS(=O)(=O)[C@@H](C)c1ccccc1F.
What is the InChIKey of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide?
The InChIKey is KHDCIUATUSZDCJ-NSHDSACASA-N. The full InChI is InChI=1S/C15H18FN3O3S/c1-9-15(10(2)19-18-9)17-14(20)8-23(21,22)11(3)12-6-4-5-7-13(12)16/h4-7,11H,8H2,1-3H3,(H,17,20)(H,18,19)/t11-/m0/s1.
What are the key properties of N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide?
N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide has a molecular weight of 339.39 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethyl-1H-pyrazol-4-yl)-2-[(1S)-1-(2-fluorophenyl)ethyl]sulfonylacetamide is sourced from PubChem (CID 97108726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).