N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide

C10H10F3N3O2S — CID 177256575

IUPACN-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(CC(F)(F)F)c2ccccc12
InChIInChI=1S/C10H10F3N3O2S/c1-19(17,18)15-9-7-4-2-3-5-8(7)16(14-9)6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyMPUMJZQPHDVUEG-UHFFFAOYSA-N
MW293.27 g/mol
LogP1.97
Rot. Bonds3

About N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide

N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide (PubChem CID 177256575) has the molecular formula C10H10F3N3O2S and a molecular weight of 293.27 g/mol. Its IUPAC name is N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide
PubChem CID177256575
Molecular FormulaC10H10F3N3O2S
Molecular Weight293.27 g/mol
Exact Mass293.04
IUPAC NameN-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(CC(F)(F)F)c2ccccc12
InChIInChI=1S/C10H10F3N3O2S/c1-19(17,18)15-9-7-4-2-3-5-8(7)16(14-9)6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15)
InChIKeyMPUMJZQPHDVUEG-UHFFFAOYSA-N
XLogP1.97
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide?
The IUPAC name of N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide (CID 177256575) is N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide is CS(=O)(=O)Nc1nn(CC(F)(F)F)c2ccccc12.
What is the InChIKey of N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide?
The InChIKey is MPUMJZQPHDVUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O2S/c1-19(17,18)15-9-7-4-2-3-5-8(7)16(14-9)6-10(11,12)13/h2-5H,6H2,1H3,(H,14,15).
What are the key properties of N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide?
N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide has a molecular weight of 293.27 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide is sourced from PubChem (CID 177256575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).