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

C20H20N4O4S — CID 155526366

IUPAC4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O4S/c21-29(26,27)17-8-6-16(7-9-17)24-19(15-4-2-1-3-5-15)14-18(22-24)20(25)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,26,27)
InChIKeyYZIGYMKTOVATDO-UHFFFAOYSA-N
MW412.47 g/mol
LogP1.66
Rot. Bonds4

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

4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (PubChem CID 155526366) has the molecular formula C20H20N4O4S and a molecular weight of 412.47 g/mol. Its IUPAC name is 4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
PubChem CID155526366
Molecular FormulaC20H20N4O4S
Molecular Weight412.47 g/mol
Exact Mass412.12
IUPAC Name4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccccc2)cc1
InChIInChI=1S/C20H20N4O4S/c21-29(26,27)17-8-6-16(7-9-17)24-19(15-4-2-1-3-5-15)14-18(22-24)20(25)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,26,27)
InChIKeyYZIGYMKTOVATDO-UHFFFAOYSA-N
XLogP1.66
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

CID 138756828
CID 138756828
CID 150503533
CID 150503533
CID 151104161
CID 151104161
CID 151319427
CID 151319427
CID 155513070
CID 155513070
CID 155514890
CID 155514890
CID 155517041
CID 155517041
CID 155519294
CID 155519294
CID 155528880
CID 155528880
CID 155532511
CID 155532511
CID 155535611
CID 155535611
CID 155539820
CID 155539820

Frequently Asked Questions

What is the IUPAC name of 4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide (CID 155526366) is 4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2ccccc2)cc1.
What is the InChIKey of 4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
The InChIKey is YZIGYMKTOVATDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4S/c21-29(26,27)17-8-6-16(7-9-17)24-19(15-4-2-1-3-5-15)14-18(22-24)20(25)23-10-12-28-13-11-23/h1-9,14H,10-13H2,(H2,21,26,27).
What are the key properties of 4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide?
4-[3-(morpholine-4-carbonyl)-5-phenylpyrazol-1-yl]benzenesulfonamide has a molecular weight of 412.47 g/mol, XLogP of 1.66, 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-phenylpyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155526366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).