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

C10H9BrClF2N3O2S — CID 135371780

IUPACN-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(CC(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C10H9BrClF2N3O2S/c1-20(18,19)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)
InChIKeySFQGKMUQZGPZHN-UHFFFAOYSA-N
MW388.62 g/mol
LogP3.09
Rot. Bonds4

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

N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide (PubChem CID 135371780) has the molecular formula C10H9BrClF2N3O2S and a molecular weight of 388.62 g/mol. Its IUPAC name is N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide
PubChem CID135371780
Molecular FormulaC10H9BrClF2N3O2S
Molecular Weight388.62 g/mol
Exact Mass386.93
IUPAC NameN-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(CC(F)F)c2c(Br)ccc(Cl)c12
InChIInChI=1S/C10H9BrClF2N3O2S/c1-20(18,19)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)
InChIKeySFQGKMUQZGPZHN-UHFFFAOYSA-N
XLogP3.09
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.62
LogP ≤ 53.09
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-difluoroethyl)indazol-3-yl]methanesulfonamide?
The IUPAC name of N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide (CID 135371780) is N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide is CS(=O)(=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]methanesulfonamide?
The InChIKey is SFQGKMUQZGPZHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrClF2N3O2S/c1-20(18,19)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]methanesulfonamide?
N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide has a molecular weight of 388.62 g/mol, XLogP of 3.09, 4 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-difluoroethyl)indazol-3-yl]methanesulfonamide is sourced from PubChem (CID 135371780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).