methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate

C20H16FN3O4S2 — CID 59009959

IUPACmethyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN3O4S2/c1-28-20(25)19-18(8-9-29-19)30(26,27)23-16-6-7-17-14(10-16)11-22-24(17)12-13-2-4-15(21)5-3-13/h2-11,23H,12H2,1H3
InChIKeyWFJMQJUNMCJWFI-UHFFFAOYSA-N
MW445.50 g/mol
LogP3.87
Rot. Bonds6

About methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate

methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate (PubChem CID 59009959) has the molecular formula C20H16FN3O4S2 and a molecular weight of 445.50 g/mol. Its IUPAC name is methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate.

Molecular Properties

Compound Namemethyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate
PubChem CID59009959
Molecular FormulaC20H16FN3O4S2
Molecular Weight445.50 g/mol
Exact Mass445.06
IUPAC Namemethyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate
SMILESCOC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C20H16FN3O4S2/c1-28-20(25)19-18(8-9-29-19)30(26,27)23-16-6-7-17-14(10-16)11-22-24(17)12-13-2-4-15(21)5-3-13/h2-11,23H,12H2,1H3
InChIKeyWFJMQJUNMCJWFI-UHFFFAOYSA-N
XLogP3.87
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.50
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

methyl 3-(N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)sulfamoyl)thiophene-2-carboxylate
CID 71790798
methyl 3-(N-(2-(3-(pyridin-2-yl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 72718543
methyl 3-(N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)thiophene-2-carboxylate
CID 86266427
methyl 4-(N-(2-(3-(thiophen-3-yl)-1H-pyrazol-1-yl)ethyl)sulfamoyl)benzoate
CID 86266428
methyl 3-[[(4aR,5S)-1-(4-fluorophenyl)-4a-methyl-4,5,6,7-tetrahydrocyclopenta[f]indazol-5-yl]methyl-(cyanomethyl)sulfamoyl]thiophene-2-carboxylate
CID 44217719
3-[[1-[(4-Fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid
CID 59009973
N-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-2-(hydroxymethyl)thiophene-3-sulfonamide
CID 59009980
3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]-N-methylthiophene-2-carboxamide
CID 59010001
methyl 3-[cyanomethyl-[[(4R,5S)-1-(4-fluorophenyl)-4-methyl-5,6,7,8-tetrahydro-4H-cyclopenta[f]indazol-5-yl]methyl]sulfamoyl]thiophene-2-carboxylate
CID 87306932
Methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]amino]sulfanylthiophene-2-carboxylate
CID 89321311
Methyl 2-[[[2,6-difluoro-4-(2-methylindazol-4-yl)phenyl]methylamino]methyl]thiophene-3-carboxylate
CID 146216720
methyl 3-[[2,6-difluoro-N-methyl-4-(2-methylindazol-4-yl)anilino]methyl]thiophene-2-carboxylate
CID 146216744

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate?
The IUPAC name of methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate (CID 59009959) is methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate.
What is the SMILES notation for methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate?
The canonical SMILES for methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate is COC(=O)c1sccc1S(=O)(=O)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1.
What is the InChIKey of methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate?
The InChIKey is WFJMQJUNMCJWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4S2/c1-28-20(25)19-18(8-9-29-19)30(26,27)23-16-6-7-17-14(10-16)11-22-24(17)12-13-2-4-15(21)5-3-13/h2-11,23H,12H2,1H3.
What are the key properties of methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate?
methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate has a molecular weight of 445.50 g/mol, XLogP of 3.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylate is sourced from PubChem (CID 59009959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).