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

C19H14FN3O4S2 — CID 59009973

IUPAC3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H14FN3O4S2/c20-14-3-1-12(2-4-14)11-23-16-6-5-15(9-13(16)10-21-23)22-29(26,27)17-7-8-28-18(17)19(24)25/h1-10,22H,11H2,(H,24,25)
InChIKeyWSLDVHSZFJASOK-UHFFFAOYSA-N
MW431.47 g/mol
LogP3.78
Rot. Bonds6

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

3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid (PubChem CID 59009973) has the molecular formula C19H14FN3O4S2 and a molecular weight of 431.47 g/mol. Its IUPAC name is 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid.

Molecular Properties

Compound Name3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid
PubChem CID59009973
Molecular FormulaC19H14FN3O4S2
Molecular Weight431.47 g/mol
Exact Mass431.04
IUPAC Name3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid
SMILESO=C(O)c1sccc1S(=O)(=O)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C19H14FN3O4S2/c20-14-3-1-12(2-4-14)11-23-16-6-5-15(9-13(16)10-21-23)22-29(26,27)17-7-8-28-18(17)19(24)25/h1-10,22H,11H2,(H,24,25)
InChIKeyWSLDVHSZFJASOK-UHFFFAOYSA-N
XLogP3.78
TPSA101.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.47
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid?
The IUPAC name of 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid (CID 59009973) is 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid.
What is the SMILES notation for 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid?
The canonical SMILES for 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid is O=C(O)c1sccc1S(=O)(=O)Nc1ccc2c(cnn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid?
The InChIKey is WSLDVHSZFJASOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O4S2/c20-14-3-1-12(2-4-14)11-23-16-6-5-15(9-13(16)10-21-23)22-29(26,27)17-7-8-28-18(17)19(24)25/h1-10,22H,11H2,(H,24,25).
What are the key properties of 3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid?
3-[[1-[(4-fluorophenyl)methyl]indazol-5-yl]sulfamoyl]thiophene-2-carboxylic acid has a molecular weight of 431.47 g/mol, XLogP of 3.78, 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]thiophene-2-carboxylic acid is sourced from PubChem (CID 59009973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).