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

C20H19FN4O4S — CID 155542855

IUPAC4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C20H19FN4O4S/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28)
InChIKeyMUPUVZURJIFBCJ-UHFFFAOYSA-N
MW430.46 g/mol
LogP1.80
Rot. Bonds4

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

4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 155542855) has the molecular formula C20H19FN4O4S and a molecular weight of 430.46 g/mol. Its IUPAC name is 4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID155542855
Molecular FormulaC20H19FN4O4S
Molecular Weight430.46 g/mol
Exact Mass430.11
IUPAC Name4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2cccc(F)c2)cc1
InChIInChI=1S/C20H19FN4O4S/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28)
InChIKeyMUPUVZURJIFBCJ-UHFFFAOYSA-N
XLogP1.80
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (CID 155542855) is 4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2cccc(F)c2)cc1.
What is the InChIKey of 4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is MUPUVZURJIFBCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O4S/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28).
What are the key properties of 4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 430.46 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155542855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).