5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide

C17H15ClN4O5S — CID 5287470

IUPAC5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cn[nH]c2-c2cc(Cl)c(O)cc2O)cc1
InChIInChI=1S/C17H15ClN4O5S/c18-13-5-11(14(23)6-15(13)24)16-12(8-21-22-16)17(25)20-7-9-1-3-10(4-2-9)28(19,26)27/h1-6,8,23-24H,7H2,(H,20,25)(H,21,22)(H2,19,26,27)
InChIKeyOOHYJGNSESWEFT-UHFFFAOYSA-N
MW422.85 g/mol
LogP1.72
Rot. Bonds5

About 5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide

5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide (PubChem CID 5287470) has the molecular formula C17H15ClN4O5S and a molecular weight of 422.85 g/mol. Its IUPAC name is 5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
PubChem CID5287470
Molecular FormulaC17H15ClN4O5S
Molecular Weight422.85 g/mol
Exact Mass422.05
IUPAC Name5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)c2cn[nH]c2-c2cc(Cl)c(O)cc2O)cc1
InChIInChI=1S/C17H15ClN4O5S/c18-13-5-11(14(23)6-15(13)24)16-12(8-21-22-16)17(25)20-7-9-1-3-10(4-2-9)28(19,26)27/h1-6,8,23-24H,7H2,(H,20,25)(H,21,22)(H2,19,26,27)
InChIKeyOOHYJGNSESWEFT-UHFFFAOYSA-N
XLogP1.72
TPSA158.40 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.85
LogP ≤ 51.72
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

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Related Compounds

2,6-dichloro-N-[(4-sulfamoylphenyl)methyl]pyridine-4-carboxamide
CID 84580537
N-[(3-chloro-4-fluorophenyl)methyl]-5-(4-chlorophenyl)-1H-pyrazole-4-carboxamide
CID 71824661
N-[(4-sulfamoylphenyl)methyl]-1H-indazole-5-carboxamide
CID 18447408
2-(2-chlorophenyl)-N-[(4-sulfamoylphenyl)methyl]quinoline-4-carboxamide
CID 2168182
5-(5-chloro-2,4-dihydroxyphenyl)-N-[3-[2-methoxyethyl(methyl)amino]propyl]-1H-pyrazole-4-carboxamide;ethane
CID 142903302
4-chloro-3-sulfamoyl-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 2566555
N-[(4-chlorophenyl)methyl]-5-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 71824412
5-(4-ethylphenyl)-N-[(4-ethylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 71824428
4-chloro-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 43216964
2-bromo-N-[(4-sulfamoylphenyl)methyl]benzamide
CID 1150876
5-amino-N-[(4-sulfamoylphenyl)methyl]pyridine-2-carboxamide
CID 81310942
N-benzyl-5-chloro-2,4-dihydroxybenzamide
CID 137440573

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of 5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide (CID 5287470) is 5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for 5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for 5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide is NS(=O)(=O)c1ccc(CNC(=O)c2cn[nH]c2-c2cc(Cl)c(O)cc2O)cc1.
What is the InChIKey of 5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
The InChIKey is OOHYJGNSESWEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN4O5S/c18-13-5-11(14(23)6-15(13)24)16-12(8-21-22-16)17(25)20-7-9-1-3-10(4-2-9)28(19,26)27/h1-6,8,23-24H,7H2,(H,20,25)(H,21,22)(H2,19,26,27).
What are the key properties of 5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide?
5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide has a molecular weight of 422.85 g/mol, XLogP of 1.72, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-dihydroxyphenyl)-N-[(4-sulfamoylphenyl)methyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 5287470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).