4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide

C22H23FN4O4S — CID 55818962

IUPAC4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H23FN4O4S/c1-2-16-4-5-17(14-21(16)32(29,30)26-10-12-31-13-11-26)22(28)25-18-6-7-20(19(23)15-18)27-9-3-8-24-27/h3-9,14-15H,2,10-13H2,1H3,(H,25,28)
InChIKeyXIVLZAWZZUMBBU-UHFFFAOYSA-N
MW458.52 g/mol
LogP2.85
Rot. Bonds6

About 4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide

4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 55818962) has the molecular formula C22H23FN4O4S and a molecular weight of 458.52 g/mol. Its IUPAC name is 4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
PubChem CID55818962
Molecular FormulaC22H23FN4O4S
Molecular Weight458.52 g/mol
Exact Mass458.14
IUPAC Name4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide
SMILESCCc1ccc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C22H23FN4O4S/c1-2-16-4-5-17(14-21(16)32(29,30)26-10-12-31-13-11-26)22(28)25-18-6-7-20(19(23)15-18)27-9-3-8-24-27/h3-9,14-15H,2,10-13H2,1H3,(H,25,28)
InChIKeyXIVLZAWZZUMBBU-UHFFFAOYSA-N
XLogP2.85
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(4-ethyl-3-morpholin-4-ylsulfonylbenzoyl)amino]benzoate
CID 30839746
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N-(4-chloro-3-cyanophenyl)-4-ethyl-3-morpholin-4-ylsulfonylbenzamide
CID 55579596
4-ethyl-N-[4-methyl-3-(methylsulfamoyl)phenyl]-3-morpholin-4-ylsulfonylbenzamide
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4-ethyl-N-(6-methyl-2-pyridinyl)-3-morpholin-4-ylsulfonylbenzamide
CID 46581324
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CID 30840943
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CID 30838356
4-ethyl-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)benzamide
CID 18158878
4-ethyl-3-morpholin-4-ylsulfonyl-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzamide
CID 43058895
4-fluoro-3-morpholin-4-ylsulfonyl-N-naphthalen-2-ylbenzamide
CID 3900214

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide (CID 55818962) is 4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide is CCc1ccc(C(=O)Nc2ccc(-n3cccn3)c(F)c2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is XIVLZAWZZUMBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4O4S/c1-2-16-4-5-17(14-21(16)32(29,30)26-10-12-31-13-11-26)22(28)25-18-6-7-20(19(23)15-18)27-9-3-8-24-27/h3-9,14-15H,2,10-13H2,1H3,(H,25,28).
What are the key properties of 4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide?
4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 458.52 g/mol, XLogP of 2.85, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-(3-fluoro-4-pyrazol-1-ylphenyl)-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 55818962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).