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

C20H19ClN4O4S — CID 162668414

IUPAC4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN4O4S/c21-15-3-5-16(6-4-15)25-19(14-1-7-17(8-2-14)30(22,27)28)13-18(23-25)20(26)24-9-11-29-12-10-24/h1-8,13H,9-12H2,(H2,22,27,28)
InChIKeyMTHCXDXWSQLECI-UHFFFAOYSA-N
MW446.92 g/mol
LogP2.31
Rot. Bonds4

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

4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide (PubChem CID 162668414) has the molecular formula C20H19ClN4O4S and a molecular weight of 446.92 g/mol. Its IUPAC name is 4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
PubChem CID162668414
Molecular FormulaC20H19ClN4O4S
Molecular Weight446.92 g/mol
Exact Mass446.08
IUPAC Name4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H19ClN4O4S/c21-15-3-5-16(6-4-15)25-19(14-1-7-17(8-2-14)30(22,27)28)13-18(23-25)20(26)24-9-11-29-12-10-24/h1-8,13H,9-12H2,(H2,22,27,28)
InChIKeyMTHCXDXWSQLECI-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-[5-(3-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155546386
[5-(4-chlorophenyl)-1-(3,4-dichlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 5128071
3-morpholin-4-ylpropyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 155527852
5-(4-chlorophenyl)-N-pyrrolidin-1-yl-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 139726206
[5-amino-1-(4-chlorophenyl)pyrazol-3-yl]-morpholin-4-ylmethanone
CID 82188848
4-[1-(4-chlorophenyl)-3-(cyclopentanecarbonyl)pyrazol-5-yl]benzenesulfonamide
CID 162668569
N-tert-butyl-5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxamide
CID 22315560
2-[[5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carbonyl]amino]acetic acid
CID 10003065
[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazol-3-yl]-piperazin-1-ylmethanone
CID 45276620
ethyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate;methyl 5-(4-chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-3-carboxylate
CID 158834534
1-[5-(4-chlorophenyl)-1-(4-fluorophenyl)pyrazole-3-carbonyl]piperidin-4-one
CID 45276937
1,5-bis(4-chlorophenyl)pyrazole-3-carboxylic acid
CID 1477238

Frequently Asked Questions

What is the IUPAC name of 4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide?
The IUPAC name of 4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide (CID 162668414) is 4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2cc(C(=O)N3CCOCC3)nn2-c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide?
The InChIKey is MTHCXDXWSQLECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O4S/c21-15-3-5-16(6-4-15)25-19(14-1-7-17(8-2-14)30(22,27)28)13-18(23-25)20(26)24-9-11-29-12-10-24/h1-8,13H,9-12H2,(H2,22,27,28).
What are the key properties of 4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide?
4-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-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-[1-(4-chlorophenyl)-3-(morpholine-4-carbonyl)pyrazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 162668414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).