2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate

C23H24FN3O6S — CID 142427805

IUPAC2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate
SMILESC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(S(=O)(=O)CC(=O)OCCO)cc1
InChIInChI=1S/C23H24FN3O6S/c1-15(16-5-9-19(10-6-16)34(31,32)14-22(29)33-12-11-28)25-23(30)21-13-20(26-27(21)2)17-3-7-18(24)8-4-17/h3-10,13,15,28H,11-12,14H2,1-2H3,(H,25,30)/t15-/m1/s1
InChIKeyZAZJLVKCLUOZHJ-OAHLLOKOSA-N
MW489.53 g/mol
LogP2.03
Rot. Bonds9

About 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate

2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate (PubChem CID 142427805) has the molecular formula C23H24FN3O6S and a molecular weight of 489.53 g/mol. Its IUPAC name is 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate.

Molecular Properties

Compound Name2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate
PubChem CID142427805
Molecular FormulaC23H24FN3O6S
Molecular Weight489.53 g/mol
Exact Mass489.14
IUPAC Name2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate
SMILESC[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(S(=O)(=O)CC(=O)OCCO)cc1
InChIInChI=1S/C23H24FN3O6S/c1-15(16-5-9-19(10-6-16)34(31,32)14-22(29)33-12-11-28)25-23(30)21-13-20(26-27(21)2)17-3-7-18(24)8-4-17/h3-10,13,15,28H,11-12,14H2,1-2H3,(H,25,30)/t15-/m1/s1
InChIKeyZAZJLVKCLUOZHJ-OAHLLOKOSA-N
XLogP2.03
TPSA127.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.53
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate with MolForge

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Related Compounds

N-[(1R)-1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 138756828
2-[4-[(1R)-1-[(1-methyl-3-phenylpyrazole-5-carbonyl)amino]ethyl]phenyl]sulfonylacetic acid
CID 155526686
N-[1-[4-(acetylsulfamoyl)phenyl]ethyl]-1-methyl-3-phenylpyrazole-5-carboxamide
CID 155554240
US11304929, Example 02-007
CID 142427648
US11304929, Example 02-011
CID 142427698
US11304929, Example 10-007
CID 142427703
US11304929, Example 10-003
CID 142427707
US11304929, Example 08-001
CID 142427713
US11304929, Example 10-002
CID 142427744
US11304929, Example 08-002
CID 142427753
US11304929, Example 10-006
CID 142427764
US11304929, Example 08-003
CID 142427838

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate?
The IUPAC name of 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate (CID 142427805) is 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate.
What is the SMILES notation for 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate?
The canonical SMILES for 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate is C[C@@H](NC(=O)c1cc(-c2ccc(F)cc2)nn1C)c1ccc(S(=O)(=O)CC(=O)OCCO)cc1.
What is the InChIKey of 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate?
The InChIKey is ZAZJLVKCLUOZHJ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H24FN3O6S/c1-15(16-5-9-19(10-6-16)34(31,32)14-22(29)33-12-11-28)25-23(30)21-13-20(26-27(21)2)17-3-7-18(24)8-4-17/h3-10,13,15,28H,11-12,14H2,1-2H3,(H,25,30)/t15-/m1/s1.
What are the key properties of 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate?
2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate has a molecular weight of 489.53 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyethyl 2-[4-[(1R)-1-[[3-(4-fluorophenyl)-1-methylpyrazole-5-carbonyl]amino]ethyl]phenyl]sulfonylacetate is sourced from PubChem (CID 142427805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).