N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

C24H27FN4O4S — CID 29498799

IUPACN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1
InChIInChI=1S/C24H27FN4O4S/c1-3-28(4-2)34(32,33)18-13-14-22(30)20(15-18)26-24(31)23-19-7-5-6-8-21(19)29(27-23)17-11-9-16(25)10-12-17/h9-15,30H,3-8H2,1-2H3,(H,26,31)
InChIKeyQUHDRBDAUBJDFU-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.88
Rot. Bonds7

About N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide

N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 29498799) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID29498799
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC NameN-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1
InChIInChI=1S/C24H27FN4O4S/c1-3-28(4-2)34(32,33)18-13-14-22(30)20(15-18)26-24(31)23-19-7-5-6-8-21(19)29(27-23)17-11-9-16(25)10-12-17/h9-15,30H,3-8H2,1-2H3,(H,26,31)
InChIKeyQUHDRBDAUBJDFU-UHFFFAOYSA-N
XLogP3.88
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 26017080
1-(4-fluorophenyl)-N-(4-methylsulfonylphenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16618890
N-(4-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24608440
N-[[4-(diethylsulfamoyl)phenyl]methyl]-1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46597048
N-(2-bromo-4-methylphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16581206
N-(4-bromo-2-methylphenyl)-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 24595456
N-[2-(ethylcarbamoyl)phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 46441505
N-(2-chlorophenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16590366
1-(4-fluorophenyl)-N-(2-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazole-3-carboxamide
CID 24592437
N-[2-(difluoromethylsulfonyl)phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 55539108
N-(3,5-dimethoxyphenyl)-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide
CID 16591333
N-[3-[ethyl(methyl)amino]phenyl]-1-(4-fluorophenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carboxamide
CID 71881123

Frequently Asked Questions

What is the IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 29498799) is N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is CCN(CC)S(=O)(=O)c1ccc(O)c(NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCCC3)c1.
What is the InChIKey of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is QUHDRBDAUBJDFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-3-28(4-2)34(32,33)18-13-14-22(30)20(15-18)26-24(31)23-19-7-5-6-8-21(19)29(27-23)17-11-9-16(25)10-12-17/h9-15,30H,3-8H2,1-2H3,(H,26,31).
What are the key properties of N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide?
N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 486.57 g/mol, XLogP of 3.88, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(diethylsulfamoyl)-2-hydroxyphenyl]-1-(4-fluorophenyl)-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 29498799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).