4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide

C21H19F3N4O4S — CID 155552805

IUPAC4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H19F3N4O4S/c22-21(23,24)15-3-1-14(2-4-15)19-13-18(20(29)27-9-11-32-12-10-27)26-28(19)16-5-7-17(8-6-16)33(25,30)31/h1-8,13H,9-12H2,(H2,25,30,31)
InChIKeyHMCJXPDQJJUVQA-UHFFFAOYSA-N
MW480.47 g/mol
LogP2.68
Rot. Bonds4

About 4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide

4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide (PubChem CID 155552805) has the molecular formula C21H19F3N4O4S and a molecular weight of 480.47 g/mol. Its IUPAC name is 4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
PubChem CID155552805
Molecular FormulaC21H19F3N4O4S
Molecular Weight480.47 g/mol
Exact Mass480.11
IUPAC Name4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C21H19F3N4O4S/c22-21(23,24)15-3-1-14(2-4-15)19-13-18(20(29)27-9-11-32-12-10-27)26-28(19)16-5-7-17(8-6-16)33(25,30)31/h1-8,13H,9-12H2,(H2,25,30,31)
InChIKeyHMCJXPDQJJUVQA-UHFFFAOYSA-N
XLogP2.68
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.47
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-Methyl-N-(4-(((2S)-2-(2-(4-morpholinyl)ethyl)-1-piperidinyl)sulfonyl)phenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 57521469
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 150503533
N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 151104161
5-(4-fluorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 151319427
N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155513070
4-[5-(4-Fluorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155517041
4-[5-(4-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155519294
4-[3-(Thiomorpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
CID 155528880
4-[5-(4-Bromophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155532511
4-[5-(4-Methylphenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155539820
4-[5-(3-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155542855
4-[5-(3-Fluorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155545220

Frequently Asked Questions

What is the IUPAC name of 4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide (CID 155552805) is 4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is HMCJXPDQJJUVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F3N4O4S/c22-21(23,24)15-3-1-14(2-4-15)19-13-18(20(29)27-9-11-32-12-10-27)26-28(19)16-5-7-17(8-6-16)33(25,30)31/h1-8,13H,9-12H2,(H2,25,30,31).
What are the key properties of 4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide?
4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 480.47 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(morpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155552805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).