N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide

C20H16ClN5O3S — CID 3758448

IUPACN'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C20H16ClN5O3S/c21-15-8-10-17(11-9-15)30(28,29)24-23-19(27)18-14-22-26(16-6-2-1-3-7-16)20(18)25-12-4-5-13-25/h1-14,24H,(H,23,27)
InChIKeyJBXIQZTVYOYRML-UHFFFAOYSA-N
MW441.90 g/mol
LogP2.94
Rot. Bonds6

About N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide

N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide (PubChem CID 3758448) has the molecular formula C20H16ClN5O3S and a molecular weight of 441.90 g/mol. Its IUPAC name is N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
PubChem CID3758448
Molecular FormulaC20H16ClN5O3S
Molecular Weight441.90 g/mol
Exact Mass441.07
IUPAC NameN'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide
SMILESO=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1-n1cccc1
InChIInChI=1S/C20H16ClN5O3S/c21-15-8-10-17(11-9-15)30(28,29)24-23-19(27)18-14-22-26(16-6-2-1-3-7-16)20(18)25-12-4-5-13-25/h1-14,24H,(H,23,27)
InChIKeyJBXIQZTVYOYRML-UHFFFAOYSA-N
XLogP2.94
TPSA98.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.90
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-nitro-N'-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}benzenesulfonohydrazide
CID 3724390
4-methyl-N'-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}benzenesulfonohydrazide
CID 4653181
N'-{[1-phenyl-5-(1H-pyrrol-1-yl)-1H-pyrazol-4-yl]carbonyl}benzenesulfonohydrazide
CID 3849358
N-[(5-Chloro-2-ethylsulfonylphenyl)methyl]-1-phenyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 89880011
N-[3-[(4-chlorophenyl)sulfamoyl]-4-fluorophenyl]-1-methyl-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 156859988
US20240316047, Example 200
CID 169792582
1-(4-fluorophenyl)-N-[[3-(methylsulfamoyl)phenyl]methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 34645844
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 36857260
[1-(4-Fluorophenyl)-5-pyrrol-1-ylpyrazol-4-yl]-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]methanone
CID 36928051
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 39298456
N-[4-(dimethylsulfamoyl)phenyl]-1-(2-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 43059495
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-1-(4-fluorophenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 46553077

Frequently Asked Questions

What is the IUPAC name of N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The IUPAC name of N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide (CID 3758448) is N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide.
What is the SMILES notation for N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The canonical SMILES for N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide is O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1cnn(-c2ccccc2)c1-n1cccc1.
What is the InChIKey of N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
The InChIKey is JBXIQZTVYOYRML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16ClN5O3S/c21-15-8-10-17(11-9-15)30(28,29)24-23-19(27)18-14-22-26(16-6-2-1-3-7-16)20(18)25-12-4-5-13-25/h1-14,24H,(H,23,27).
What are the key properties of N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide?
N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide has a molecular weight of 441.90 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-chlorophenyl)sulfonyl-1-phenyl-5-pyrrol-1-ylpyrazole-4-carbohydrazide is sourced from PubChem (CID 3758448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).