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

C10H10ClF2N3O2S — CID 156780749

IUPACN-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(CC(F)F)c2cccc(Cl)c12
InChIInChI=1S/C10H10ClF2N3O2S/c1-19(17,18)15-10-9-6(11)3-2-4-7(9)16(14-10)5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15)
InChIKeyZCYAWUMIMVADPT-UHFFFAOYSA-N
MW309.73 g/mol
LogP2.33
Rot. Bonds4

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

N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide (PubChem CID 156780749) has the molecular formula C10H10ClF2N3O2S and a molecular weight of 309.73 g/mol. Its IUPAC name is N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide
PubChem CID156780749
Molecular FormulaC10H10ClF2N3O2S
Molecular Weight309.73 g/mol
Exact Mass309.02
IUPAC NameN-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1nn(CC(F)F)c2cccc(Cl)c12
InChIInChI=1S/C10H10ClF2N3O2S/c1-19(17,18)15-10-9-6(11)3-2-4-7(9)16(14-10)5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15)
InChIKeyZCYAWUMIMVADPT-UHFFFAOYSA-N
XLogP2.33
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.73
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide?
The IUPAC name of N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide (CID 156780749) is N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide.
What is the SMILES notation for N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide?
The canonical SMILES for N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide is CS(=O)(=O)Nc1nn(CC(F)F)c2cccc(Cl)c12.
What is the InChIKey of N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide?
The InChIKey is ZCYAWUMIMVADPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N3O2S/c1-19(17,18)15-10-9-6(11)3-2-4-7(9)16(14-10)5-8(12)13/h2-4,8H,5H2,1H3,(H,14,15).
What are the key properties of N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide?
N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide has a molecular weight of 309.73 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]methanesulfonamide is sourced from PubChem (CID 156780749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).