3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide

C18H17ClN4O3S — CID 46920467

IUPAC3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C18H17ClN4O3S/c19-14-5-3-13(4-6-14)16-11-17(23-22-16)18(24)21-10-9-12-1-7-15(8-2-12)27(20,25)26/h1-8,11H,9-10H2,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyJFOWLGGWUAMNIU-UHFFFAOYSA-N
MW404.88 g/mol
LogP2.35
Rot. Bonds6

About 3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide

3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide (PubChem CID 46920467) has the molecular formula C18H17ClN4O3S and a molecular weight of 404.88 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
PubChem CID46920467
Molecular FormulaC18H17ClN4O3S
Molecular Weight404.88 g/mol
Exact Mass404.07
IUPAC Name3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1
InChIInChI=1S/C18H17ClN4O3S/c19-14-5-3-13(4-6-14)16-11-17(23-22-16)18(24)21-10-9-12-1-7-15(8-2-12)27(20,25)26/h1-8,11H,9-10H2,(H,21,24)(H,22,23)(H2,20,25,26)
InChIKeyJFOWLGGWUAMNIU-UHFFFAOYSA-N
XLogP2.35
TPSA117.94 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.88
LogP ≤ 52.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-pyridin-4-yl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 110676548
2-oxo-4-phenyl-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrimidine-6-carboxamide
CID 110332104
2-[4-(4-chlorophenyl)-6-oxopyrimidin-1-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30936047
3-(4-chlorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 166189748
3-(4-chlorophenyl)-N-octadecyl-1H-pyrazole-5-carboxamide
CID 19509334
3-(4-methoxyphenyl)-N-[2-(4-methylphenyl)ethyl]-1H-pyrazole-5-carboxamide
CID 20918235
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
1-(4-chlorophenyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 1130083
2-(3,4-dichlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 4784267
1-benzyl-3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]pyrazole-4-carboxamide
CID 43016615
3-(4-fluorophenyl)-N-(4-sulfamoylphenyl)-1H-pyrazole-5-carboxamide
CID 45030518
3-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]-1H-pyrazole-5-carboxamide
CID 46920460

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide (CID 46920467) is 3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide is NS(=O)(=O)c1ccc(CCNC(=O)c2cc(-c3ccc(Cl)cc3)n[nH]2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
The InChIKey is JFOWLGGWUAMNIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17ClN4O3S/c19-14-5-3-13(4-6-14)16-11-17(23-22-16)18(24)21-10-9-12-1-7-15(8-2-12)27(20,25)26/h1-8,11H,9-10H2,(H,21,24)(H,22,23)(H2,20,25,26).
What are the key properties of 3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide?
3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide has a molecular weight of 404.88 g/mol, XLogP of 2.35, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 46920467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).