N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide

C25H29FN4O3S — CID 55622374

IUPACN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C25H29FN4O3S/c1-3-29(4-2)34(32,33)19-13-14-22(26)20(15-19)25(31)28-23-11-8-12-24-21(23)16-27-30(24)17-18-9-6-5-7-10-18/h5-7,9-10,13-16,23H,3-4,8,11-12,17H2,1-2H3,(H,28,31)
InChIKeyIYOYSCHLPGVUIV-UHFFFAOYSA-N
MW484.60 g/mol
LogP3.91
Rot. Bonds8

About N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide

N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide (PubChem CID 55622374) has the molecular formula C25H29FN4O3S and a molecular weight of 484.60 g/mol. Its IUPAC name is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide.

Molecular Properties

Compound NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide
PubChem CID55622374
Molecular FormulaC25H29FN4O3S
Molecular Weight484.60 g/mol
Exact Mass484.19
IUPAC NameN-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide
SMILESCCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1
InChIInChI=1S/C25H29FN4O3S/c1-3-29(4-2)34(32,33)19-13-14-22(26)20(15-19)25(31)28-23-11-8-12-24-21(23)16-27-30(24)17-18-9-6-5-7-10-18/h5-7,9-10,13-16,23H,3-4,8,11-12,17H2,1-2H3,(H,28,31)
InChIKeyIYOYSCHLPGVUIV-UHFFFAOYSA-N
XLogP3.91
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.60
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-2,5-difluorobenzamide
CID 31899002
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-chloro-2-fluorobenzamide
CID 42957312
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 55622247
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-iodobenzamide
CID 55620439
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-2-hydroxy-5-methylbenzamide
CID 46416483
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-fluoro-3-piperidin-1-ylsulfonylbenzamide
CID 46424971
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-4-(cyclopropylsulfamoyl)benzamide
CID 167879462
N-[(4R)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-methylbenzamide
CID 31897730
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-6-fluoro-2-sulfanylidene-1,3-dihydrobenzimidazole-4-carboxamide
CID 78903546
N-[(4S)-1-benzyl-4,5,6,7-tetrahydroindazol-4-yl]-3-(dimethylamino)benzamide
CID 51939181
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-chloro-1-propan-2-ylpyrazole-4-carboxamide
CID 167848496
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(2-fluorophenyl)-1,2-oxazole-3-carboxamide
CID 55637295

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide?
The IUPAC name of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide (CID 55622374) is N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide.
What is the SMILES notation for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide?
The canonical SMILES for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide is CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NC2CCCc3c2cnn3Cc2ccccc2)c1.
What is the InChIKey of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide?
The InChIKey is IYOYSCHLPGVUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN4O3S/c1-3-29(4-2)34(32,33)19-13-14-22(26)20(15-19)25(31)28-23-11-8-12-24-21(23)16-27-30(24)17-18-9-6-5-7-10-18/h5-7,9-10,13-16,23H,3-4,8,11-12,17H2,1-2H3,(H,28,31).
What are the key properties of N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide?
N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide has a molecular weight of 484.60 g/mol, XLogP of 3.91, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-4,5,6,7-tetrahydroindazol-4-yl)-5-(diethylsulfamoyl)-2-fluorobenzamide is sourced from PubChem (CID 55622374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).