3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide

C20H17FN4O3S2 — CID 59010001

IUPAC3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H17FN4O3S2/c1-22-20(26)19-18(8-9-29-19)30(27,28)24-16-6-7-17-14(10-16)11-23-25(17)12-13-2-4-15(21)5-3-13/h2-11,24H,12H2,1H3,(H,22,26)
InChIKeyIWNMLKRBZOXWMS-UHFFFAOYSA-N
MW444.51 g/mol
LogP3.45
Rot. Bonds6

About 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide

3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide (PubChem CID 59010001) has the molecular formula C20H17FN4O3S2 and a molecular weight of 444.51 g/mol. Its IUPAC name is 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide
PubChem CID59010001
Molecular FormulaC20H17FN4O3S2
Molecular Weight444.51 g/mol
Exact Mass444.07
IUPAC Name3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H17FN4O3S2/c1-22-20(26)19-18(8-9-29-19)30(27,28)24-16-6-7-17-14(10-16)11-23-25(17)12-13-2-4-15(21)5-3-13/h2-11,24H,12H2,1H3,(H,22,26)
InChIKeyIWNMLKRBZOXWMS-UHFFFAOYSA-N
XLogP3.45
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.51
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-fluoro-4-methyl-5-(1-thiophen-2-ylsulfonylindazol-5-yl)benzamide
CID 10253500
N-[3-(3-sulfamoylphenyl)-1H-indazol-5-yl]thiophene-2-carboxamide
CID 53476533
4-[5-(2-chloroanilino)-6-fluoroindazol-1-yl]-N-methylthiophene-2-carboxamide
CID 156155311
4-[5-(2-chloroanilino)-6-fluoroindazol-1-yl]-N-propan-2-ylthiophene-2-carboxamide
CID 156155358
4-[5-(2-chloro-6-fluoroanilino)-6-fluoroindazol-1-yl]-N-methylthiophene-2-carboxamide
CID 156155399
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-thiophenecarboxamide
CID 46916321
1-cyclohexyl-3-methyl-N-(1-methylsulfonyl-2,3-dihydroindol-5-yl)thieno[3,2-d]pyrazole-5-carboxamide
CID 57698270
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]thiophene-2-carboxamide
CID 46947977
4-[5-[(5-fluoro-2-methylsulfonylphenyl)methylamino]-1-methylindazol-3-yl]-N-[2-(1H-pyrazol-5-yl)ethyl]benzamide
CID 145969181
4-[5-[(5-fluoro-2-methylsulfonylphenyl)methylamino]-1-methylindazol-3-yl]-N-methylbenzamide
CID 145971023
US10889564, Example 19
CID 129127252
1H-Indazol-5-amine, 1-(2-thienylcarbonyl)-
CID 212075

Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide (CID 59010001) is 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide is CNC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide?
The InChIKey is IWNMLKRBZOXWMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3S2/c1-22-20(26)19-18(8-9-29-19)30(27,28)24-16-6-7-17-14(10-16)11-23-25(17)12-13-2-4-15(21)5-3-13/h2-11,24H,12H2,1H3,(H,22,26).
What are the key properties of 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide?
3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide has a molecular weight of 444.51 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 59010001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).