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

C20H19ClN4O4S — CID 155546386

IUPAC4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H19ClN4O4S/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28)
InChIKeyCZKXBPRLBHIVAF-UHFFFAOYSA-N
MW446.92 g/mol
LogP2.31
Rot. Bonds4

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

4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (PubChem CID 155546386) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is 4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
PubChem CID155546386
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC Name4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C20H19ClN4O4S/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28)
InChIKeyCZKXBPRLBHIVAF-UHFFFAOYSA-N
XLogP2.31
TPSA107.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.92
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668414
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 5128071
[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 82188848
3-morpholin-4-ylpropyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155527852
[1-(4-fluorophenyl)-5-pyridin-3-ylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 53067825
5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 139726206
4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668569
4-[5-amino-3-(3-chlorophenyl)pyrazol-1-yl]benzenesulfonamide
CID 2742747
[1-(6-methoxy-3-pyridinyl)-5-phenylpyrazol-3-yl]-morpholin-4-ylmethanone
CID 10406457
1-[1-(3-chlorophenyl)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
CID 58277368
[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 45276620
1-[1-(3-chlorophenyl)-5-[3-(3-morpholin-4-ylpropoxy)phenyl]pyrazole-3-carbonyl]imidazolidin-4-one
CID 58277357

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide (CID 155546386) is 4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)N3CCOCC3)cc2-c2cccc(Cl)c2)cc1.
What is the InChIKey of 4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
The InChIKey is CZKXBPRLBHIVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c21-15-3-1-2-14(12-15)19-13-18(20(26)24-8-10-29-11-9-24)23-25(19)16-4-6-17(7-5-16)30(22,27)28/h1-7,12-13H,8-11H2,(H2,22,27,28).
What are the key properties of 4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide?
4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide has a molecular weight of 446.92 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 155546386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).