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

C21H22N4O5S — CID 155535611

IUPAC4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1cccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C21H22N4O5S/c1-29-17-4-2-3-15(13-17)20-14-19(21(26)24-9-11-30-12-10-24)23-25(20)16-5-7-18(8-6-16)31(22,27)28/h2-8,13-14H,9-12H2,1H3,(H2,22,27,28)
InChIKeyWCOQIUKZFLWLPR-UHFFFAOYSA-N
MW442.50 g/mol
LogP1.67
Rot. Bonds5

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

4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 155535611) has the molecular formula C21H22N4O5S and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID155535611
Molecular FormulaC21H22N4O5S
Molecular Weight442.50 g/mol
Exact Mass442.13
IUPAC Name4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESCOc1cccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)c1
InChIInChI=1S/C21H22N4O5S/c1-29-17-4-2-3-15(13-17)20-14-19(21(26)24-9-11-30-12-10-24)23-25(20)16-5-7-18(8-6-16)31(22,27)28/h2-8,13-14H,9-12H2,1H3,(H2,22,27,28)
InChIKeyWCOQIUKZFLWLPR-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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Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (CID 155535611) is 4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is COc1cccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)c1.
What is the InChIKey of 4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is WCOQIUKZFLWLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5S/c1-29-17-4-2-3-15(13-17)20-14-19(21(26)24-9-11-30-12-10-24)23-25(20)16-5-7-18(8-6-16)31(22,27)28/h2-8,13-14H,9-12H2,1H3,(H2,22,27,28).
What are the key properties of 4-[5-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(3-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-(3-methoxyphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155535611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).