N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide

C21H16FN5O3S2 — CID 164614150

IUPACN-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\c3ccc(F)cc3)cc2-c2cccs2)cc1
InChIInChI=1S/C21H16FN5O3S2/c22-15-5-3-14(4-6-15)13-24-25-21(28)18-12-19(20-2-1-11-31-20)27(26-18)16-7-9-17(10-8-16)32(23,29)30/h1-13H,(H,25,28)(H2,23,29,30)/b24-13-
InChIKeyOJWKGZPEBANNPS-CFRMEGHHSA-N
MW469.52 g/mol
LogP3.15
Rot. Bonds6

About N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide

N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide (PubChem CID 164614150) has the molecular formula C21H16FN5O3S2 and a molecular weight of 469.52 g/mol. Its IUPAC name is N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
PubChem CID164614150
Molecular FormulaC21H16FN5O3S2
Molecular Weight469.52 g/mol
Exact Mass469.07
IUPAC NameN-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide
SMILESNS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\c3ccc(F)cc3)cc2-c2cccs2)cc1
InChIInChI=1S/C21H16FN5O3S2/c22-15-5-3-14(4-6-15)13-24-25-21(28)18-12-19(20-2-1-11-31-20)27(26-18)16-7-9-17(10-8-16)32(23,29)30/h1-13H,(H,25,28)(H2,23,29,30)/b24-13-
InChIKeyOJWKGZPEBANNPS-CFRMEGHHSA-N
XLogP3.15
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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4-[5-Phenyl-3-(thiomorpholine-4-carbonyl)pyrazol-1-yl]benzenesulfonamide
CID 155557877
N-[(4-methylbenzoyl)amino]-N'-[4-[5-thiophen-2-yl-3-(trifluoromethyl)pyrazol-1-yl]phenyl]sulfonylpyrrolidine-1-carboximidamide
CID 131801155
N-[3-(dimethylsulfamoyl)phenyl]-1-phenyl-3-thiophen-2-ylpyrazole-5-carboxamide
CID 3892594
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CID 4281981
N'-[(1E)-(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methylene]-3-thien-2-yl-1H-pyrazole-5-carbohydrazide
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CID 6869533
N-[(E)-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylideneamino]-2-(thiophen-2-ylsulfonylamino)benzamide
CID 6903023
2-fluoro-N-[(E)-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)methylideneamino]benzamide
CID 6904822
[4-(Benzenesulfonyl)piperazin-1-yl]-(1-phenyl-3-thiophen-2-ylpyrazol-5-yl)methanone
CID 16275207
1-(4-sulfamoylphenyl)-5-thiophen-2-yl-N-[(Z)-[4-(trifluoromethyl)phenyl]methylideneamino]pyrazole-3-carboxamide
CID 164610255

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide (CID 164614150) is N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide is NS(=O)(=O)c1ccc(-n2nc(C(=O)N/N=C\c3ccc(F)cc3)cc2-c2cccs2)cc1.
What is the InChIKey of N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
The InChIKey is OJWKGZPEBANNPS-CFRMEGHHSA-N. The full InChI is InChI=1S/C21H16FN5O3S2/c22-15-5-3-14(4-6-15)13-24-25-21(28)18-12-19(20-2-1-11-31-20)27(26-18)16-7-9-17(10-8-16)32(23,29)30/h1-13H,(H,25,28)(H2,23,29,30)/b24-13-.
What are the key properties of N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide?
N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide has a molecular weight of 469.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-(4-fluorophenyl)methylideneamino]-1-(4-sulfamoylphenyl)-5-thiophen-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 164614150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).