4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide

C20H19ClN4O3S2 — CID 155555889

IUPAC4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCSCC3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN4O3S2/c21-15-3-1-14(2-4-15)19-13-18(20(26)24-9-11-29-12-10-24)23-25(19)16-5-7-17(8-6-16)30(22,27)28/h1-8,13H,9-12H2,(H2,22,27,28)
InChIKeyKGDLHJBGMSPNDF-UHFFFAOYSA-N
MW462.98 g/mol
LogP3.03
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide

4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 155555889) has the molecular formula C20H19ClN4O3S2 and a molecular weight of 462.98 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID155555889
Molecular FormulaC20H19ClN4O3S2
Molecular Weight462.98 g/mol
Exact Mass462.06
IUPAC Name4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCSCC3)cc2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN4O3S2/c21-15-3-1-14(2-4-15)19-13-18(20(26)24-9-11-29-12-10-24)23-25(19)16-5-7-17(8-6-16)30(22,27)28/h1-8,13H,9-12H2,(H2,22,27,28)
InChIKeyKGDLHJBGMSPNDF-UHFFFAOYSA-N
XLogP3.03
TPSA98.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.98
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(4-chlorophenyl)-3-(thiomorpholine-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

Related Compounds

n-(3-Chlorophenyl)-[1-(4-aminosulfonylphenyl)-5-(4-fluorophenyl)-1h-pyrazol-3-yl]carboxamide
CID 15485784
5-(4-chlorophenyl)-N-(2-morpholin-4-ylethyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 150503533
N-(2-morpholin-4-ylethyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 151104161
N-(3-morpholin-4-ylpropyl)-5-phenyl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 155513070
4-[5-(3-Chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155514890
4-[5-(4-Fluorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155517041
4-[5-(4-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155519294
4-[3-(Thiomorpholine-4-carbonyl)-5-[4-(trifluoromethyl)phenyl]pyrazol-1-yl]benzenesulfonamide
CID 155528880
4-[5-(4-Methylphenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155539820
4-[5-(3-Fluorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155542855
4-[5-(3-Fluorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155545220
4-[5-(3-Chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155546386

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (CID 155555889) is 4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCSCC3)cc2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is KGDLHJBGMSPNDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O3S2/c21-15-3-1-14(2-4-15)19-13-18(20(26)24-9-11-29-12-10-24)23-25(19)16-5-7-17(8-6-16)30(22,27)28/h1-8,13H,9-12H2,(H2,22,27,28).
What are the key properties of 4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 462.98 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155555889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).