2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide

C15H9F4N3O3S — CID 86643839

IUPAC2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide
SMILESO=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cccc(F)c3)cc12)C(F)(F)F
InChIInChI=1S/C15H9F4N3O3S/c16-8-2-1-3-9(6-8)26(24,25)10-4-5-12-11(7-10)13(22-21-12)20-14(23)15(17,18)19/h1-7H,(H2,20,21,22,23)
InChIKeyDJRXHODOGOJKIG-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.04
Rot. Bonds3

About 2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide

2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide (PubChem CID 86643839) has the molecular formula C15H9F4N3O3S and a molecular weight of 387.31 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide
PubChem CID86643839
Molecular FormulaC15H9F4N3O3S
Molecular Weight387.31 g/mol
Exact Mass387.03
IUPAC Name2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide
SMILESO=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cccc(F)c3)cc12)C(F)(F)F
InChIInChI=1S/C15H9F4N3O3S/c16-8-2-1-3-9(6-8)26(24,25)10-4-5-12-11(7-10)13(22-21-12)20-14(23)15(17,18)19/h1-7H,(H2,20,21,22,23)
InChIKeyDJRXHODOGOJKIG-UHFFFAOYSA-N
XLogP3.04
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide (CID 86643839) is 2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide is O=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cccc(F)c3)cc12)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide?
The InChIKey is DJRXHODOGOJKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F4N3O3S/c16-8-2-1-3-9(6-8)26(24,25)10-4-5-12-11(7-10)13(22-21-12)20-14(23)15(17,18)19/h1-7H,(H2,20,21,22,23).
What are the key properties of 2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide?
2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide has a molecular weight of 387.31 g/mol, XLogP of 3.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[5-(3-fluorophenyl)sulfonyl-1H-indazol-3-yl]acetamide is sourced from PubChem (CID 86643839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).