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

C21H22N4O5S — CID 155553248

IUPAC4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H22N4O5S/c1-29-17-6-2-15(3-7-17)20-14-19(21(26)24-10-12-30-13-11-24)23-25(20)16-4-8-18(9-5-16)31(22,27)28/h2-9,14H,10-13H2,1H3,(H2,22,27,28)
InChIKeyUBFNJDRQOVTODZ-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.67
Rot. Bonds5

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

4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 155553248) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID155553248
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC Name4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H22N4O5S/c1-29-17-6-2-15(3-7-17)20-14-19(21(26)24-10-12-30-13-11-24)23-25(20)16-4-8-18(9-5-16)31(22,27)28/h2-9,14H,10-13H2,1H3,(H2,22,27,28)
InChIKeyUBFNJDRQOVTODZ-UHFFFAOYSA-N
XLogP1.67
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5E)-N-[4-(2,6-dimethylmorpholin-4-yl)sulfonylphenyl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide
CID 666379
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 149810461
4-[5-(4-Ethoxyphenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155514534
4-[5-(4-Ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155530971
4-[5-(3-Methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155535611
5-(4-methoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155542501
4-(3,5-dimethyl-1-pyrazolyl)-N-[2-methoxy-5-(4-morpholinylsulfonyl)phenyl]benzamide
CID 3538139
(3,5-Dimethyl-1-phenylpyrazol-4-yl)-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 4808733
(3-Cyclopropyl-1-phenylpyrazol-5-yl)-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]methanone
CID 16321869
1-[3-(4-Methoxyphenyl)-1H-pyrazole-5-carbonyl]-4-(4-methylbenzenesulfonyl)piperazine
CID 20864975
1-[3-(2-Methoxyphenyl)-1H-pyrazole-5-carbonyl]-4-(4-methylbenzenesulfonyl)piperazine
CID 20865014
3-(4-Methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 76329100

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (CID 155553248) is 4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is COc1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is UBFNJDRQOVTODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-29-17-6-2-15(3-7-17)20-14-19(21(26)24-10-12-30-13-11-24)23-25(20)16-4-8-18(9-5-16)31(22,27)28/h2-9,14H,10-13H2,1H3,(H2,22,27,28).
What are the key properties of 4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 442.50 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155553248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).