N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide

C10H8BrClF3N3O2S — CID 139416255

IUPACN-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(CC(F)(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C10H8BrClF3N3O2S/c1-21(19,20)17-9-7-6(12)3-2-5(11)8(7)18(16-9)4-10(13,14)15/h2-3H,4H2,1H3,(H,16,17)
InChIKeyKHNWRPJGEJTXFT-UHFFFAOYSA-N
MW406.61 g/mol
LogP3.39
Rot. Bonds3

About N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide

N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide (PubChem CID 139416255) has the molecular formula C10H8BrClF3N3O2S and a molecular weight of 406.61 g/mol. Its IUPAC name is N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide
PubChem CID139416255
Molecular FormulaC10H8BrClF3N3O2S
Molecular Weight406.61 g/mol
Exact Mass404.92
IUPAC NameN-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(CC(F)(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C10H8BrClF3N3O2S/c1-21(19,20)17-9-7-6(12)3-2-5(11)8(7)18(16-9)4-10(13,14)15/h2-3H,4H2,1H3,(H,16,17)
InChIKeyKHNWRPJGEJTXFT-UHFFFAOYSA-N
XLogP3.39
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.61
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide?
The IUPAC name of N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide (CID 139416255) is N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide is CS(=O)(=O)Nc1nn(CC(F)(F)F)c2c(Br)ccc(Cl)c12.
What is the InChIKey of N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide?
The InChIKey is KHNWRPJGEJTXFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrClF3N3O2S/c1-21(19,20)17-9-7-6(12)3-2-5(11)8(7)18(16-9)4-10(13,14)15/h2-3H,4H2,1H3,(H,16,17).
What are the key properties of N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide?
N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide has a molecular weight of 406.61 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bromo-4-chloro-1-(2,2,2-trifluoroethyl)indazol-3-yl]methanesulfonamide is sourced from PubChem (CID 139416255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).