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

C22H24N4O5S — CID 155530971

IUPAC4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCOc1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H24N4O5S/c1-2-31-18-7-3-16(4-8-18)21-15-20(22(27)25-11-13-30-14-12-25)24-26(21)17-5-9-19(10-6-17)32(23,28)29/h3-10,15H,2,11-14H2,1H3,(H2,23,28,29)
InChIKeyBKXPOAJAUMGKHD-UHFFFAOYSA-N
MW456.52 g/mol
LogP2.06
Rot. Bonds6

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

4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 155530971) has the molecular formula C22H24N4O5S and a molecular weight of 456.52 g/mol. Its IUPAC name is 4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID155530971
Molecular FormulaC22H24N4O5S
Molecular Weight456.52 g/mol
Exact Mass456.15
IUPAC Name4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESCCOc1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C22H24N4O5S/c1-2-31-18-7-3-16(4-8-18)21-15-20(22(27)25-11-13-30-14-12-25)24-26(21)17-5-9-19(10-6-17)32(23,28)29/h3-10,15H,2,11-14H2,1H3,(H2,23,28,29)
InChIKeyBKXPOAJAUMGKHD-UHFFFAOYSA-N
XLogP2.06
TPSA116.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.52
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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-(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-[5-(4-Methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155553248
2-[2-(4-ethoxyphenyl)-4-oxopyrazolo[1,5-a]pyrazin-5(4H)-yl]-N-(4-methoxybenzyl)acetamide
CID 16028260
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
N-[2-(2-oxochromen-7-yl)oxyethyl]-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 137661257
3-Morpholin-4-ylpropyl 5-(4-methoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155510363
2-Morpholin-4-ylethyl 5-(4-ethoxyphenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155515015
5-(4-ethoxyphenyl)-N-(3-morpholin-4-ylpropyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155524522

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (CID 155530971) is 4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is CCOc1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is BKXPOAJAUMGKHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O5S/c1-2-31-18-7-3-16(4-8-18)21-15-20(22(27)25-11-13-30-14-12-25)24-26(21)17-5-9-19(10-6-17)32(23,28)29/h3-10,15H,2,11-14H2,1H3,(H2,23,28,29).
What are the key properties of 4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 456.52 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-ethoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155530971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).