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

C10H9BrClF2N3OS — CID 153352182

IUPACN-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide
SMILESCS(=O)Nc1nn(CC(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C10H9BrClF2N3OS/c1-19(18)16-10-8-6(12)3-2-5(11)9(8)17(15-10)4-7(13)14/h2-3,7H,4H2,1H3,(H,15,16)
InChIKeyIECGNJSJXMILHF-UHFFFAOYSA-N
MW372.62 g/mol
LogP3.42
Rot. Bonds4

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

N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide (PubChem CID 153352182) has the molecular formula C10H9BrClF2N3OS and a molecular weight of 372.62 g/mol. Its IUPAC name is N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide.

Molecular Properties

Compound NameN-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide
PubChem CID153352182
Molecular FormulaC10H9BrClF2N3OS
Molecular Weight372.62 g/mol
Exact Mass370.93
IUPAC NameN-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide
SMILESCS(=O)Nc1nn(CC(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C10H9BrClF2N3OS/c1-19(18)16-10-8-6(12)3-2-5(11)9(8)17(15-10)4-7(13)14/h2-3,7H,4H2,1H3,(H,15,16)
InChIKeyIECGNJSJXMILHF-UHFFFAOYSA-N
XLogP3.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.62
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide?
The IUPAC name of N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide (CID 153352182) is N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide.
What is the SMILES notation for N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide?
The canonical SMILES for N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide is CS(=O)Nc1nn(CC(F)F)c2c(Br)ccc(Cl)c12.
What is the InChIKey of N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide?
The InChIKey is IECGNJSJXMILHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF2N3OS/c1-19(18)16-10-8-6(12)3-2-5(11)9(8)17(15-10)4-7(13)14/h2-3,7H,4H2,1H3,(H,15,16).
What are the key properties of N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide?
N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide has a molecular weight of 372.62 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfinamide is sourced from PubChem (CID 153352182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).