N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide

C22H19FN4O4S — CID 177245207

IUPACN-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1-c1ccc2[nH]nc(NC(C)=O)c2c1
InChIInChI=1S/C22H19FN4O4S/c1-13(28)24-22-19-10-14(6-8-20(19)25-26-22)18-12-17(7-9-21(18)31-2)32(29,30)27-16-5-3-4-15(23)11-16/h3-12,27H,1-2H3,(H2,24,25,26,28)
InChIKeyFCGLDFNBAUQBDY-UHFFFAOYSA-N
MW454.48 g/mol
LogP4.14
Rot. Bonds6

About N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide

N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide (PubChem CID 177245207) has the molecular formula C22H19FN4O4S and a molecular weight of 454.48 g/mol. Its IUPAC name is N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound NameN-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide
PubChem CID177245207
Molecular FormulaC22H19FN4O4S
Molecular Weight454.48 g/mol
Exact Mass454.11
IUPAC NameN-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide
SMILESCOc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1-c1ccc2[nH]nc(NC(C)=O)c2c1
InChIInChI=1S/C22H19FN4O4S/c1-13(28)24-22-19-10-14(6-8-20(19)25-26-22)18-12-17(7-9-21(18)31-2)32(29,30)27-16-5-3-4-15(23)11-16/h3-12,27H,1-2H3,(H2,24,25,26,28)
InChIKeyFCGLDFNBAUQBDY-UHFFFAOYSA-N
XLogP4.14
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide?
The IUPAC name of N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide (CID 177245207) is N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide.
What is the SMILES notation for N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide?
The canonical SMILES for N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide is COc1ccc(S(=O)(=O)Nc2cccc(F)c2)cc1-c1ccc2[nH]nc(NC(C)=O)c2c1.
What is the InChIKey of N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide?
The InChIKey is FCGLDFNBAUQBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O4S/c1-13(28)24-22-19-10-14(6-8-20(19)25-26-22)18-12-17(7-9-21(18)31-2)32(29,30)27-16-5-3-4-15(23)11-16/h3-12,27H,1-2H3,(H2,24,25,26,28).
What are the key properties of N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide?
N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide has a molecular weight of 454.48 g/mol, XLogP of 4.14, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(3-fluorophenyl)sulfamoyl]-2-methoxyphenyl]-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 177245207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).