N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide

C15H8F5N3O3S — CID 87130286

IUPACN-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cc(F)cc(F)c3)cc12)C(F)(F)F
InChIInChI=1S/C15H8F5N3O3S/c16-7-3-8(17)5-10(4-7)27(25,26)9-1-2-12-11(6-9)13(23-22-12)21-14(24)15(18,19)20/h1-6H,(H2,21,22,23,24)
InChIKeyLEUGTEPQWJIKQN-UHFFFAOYSA-N
MW405.30 g/mol
LogP3.17
Rot. Bonds3

About N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide

N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide (PubChem CID 87130286) has the molecular formula C15H8F5N3O3S and a molecular weight of 405.30 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide
PubChem CID87130286
Molecular FormulaC15H8F5N3O3S
Molecular Weight405.30 g/mol
Exact Mass405.02
IUPAC NameN-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide
SMILESO=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cc(F)cc(F)c3)cc12)C(F)(F)F
InChIInChI=1S/C15H8F5N3O3S/c16-7-3-8(17)5-10(4-7)27(25,26)9-1-2-12-11(6-9)13(23-22-12)21-14(24)15(18,19)20/h1-6H,(H2,21,22,23,24)
InChIKeyLEUGTEPQWJIKQN-UHFFFAOYSA-N
XLogP3.17
TPSA91.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.30
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide (CID 87130286) is N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide is O=C(Nc1n[nH]c2ccc(S(=O)(=O)c3cc(F)cc(F)c3)cc12)C(F)(F)F.
What is the InChIKey of N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
The InChIKey is LEUGTEPQWJIKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F5N3O3S/c16-7-3-8(17)5-10(4-7)27(25,26)9-1-2-12-11(6-9)13(23-22-12)21-14(24)15(18,19)20/h1-6H,(H2,21,22,23,24).
What are the key properties of N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide?
N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide has a molecular weight of 405.30 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)sulfonyl-1H-indazol-3-yl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 87130286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).