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

C21H22N4O4S — CID 155550206

IUPAC4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H22N4O4S/c1-15-2-4-16(5-3-15)20-14-19(21(26)24-10-12-29-13-11-24)23-25(20)17-6-8-18(9-7-17)30(22,27)28/h2-9,14H,10-13H2,1H3,(H2,22,27,28)
InChIKeyMVWIFDDJQANEGY-UHFFFAOYSA-N
MW426.50 g/mol
LogP1.97
Rot. Bonds4

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

4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 155550206) has the molecular formula C21H22N4O4S and a molecular weight of 426.50 g/mol. Its IUPAC name is 4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID155550206
Molecular FormulaC21H22N4O4S
Molecular Weight426.50 g/mol
Exact Mass426.14
IUPAC Name4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C21H22N4O4S/c1-15-2-4-16(5-3-15)20-14-19(21(26)24-10-12-29-13-11-24)23-25(20)17-6-8-18(9-7-17)30(22,27)28/h2-9,14H,10-13H2,1H3,(H2,22,27,28)
InChIKeyMVWIFDDJQANEGY-UHFFFAOYSA-N
XLogP1.97
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.50
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (CID 155550206) is 4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is Cc1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is MVWIFDDJQANEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4S/c1-15-2-4-16(5-3-15)20-14-19(21(26)24-10-12-29-13-11-24)23-25(20)17-6-8-18(9-7-17)30(22,27)28/h2-9,14H,10-13H2,1H3,(H2,22,27,28).
What are the key properties of 4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 426.50 g/mol, XLogP of 1.97, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methylphenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155550206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).