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

C12H11BrClF2N3O2S — CID 135372291

IUPACN-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1nn(CC(F)F)c2c(Br)ccc(Cl)c12)C1CC1
InChIInChI=1S/C12H11BrClF2N3O2S/c13-7-3-4-8(14)10-11(7)19(5-9(15)16)17-12(10)18-22(20,21)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,17,18)
InChIKeyKVAPLICGHKBWAQ-UHFFFAOYSA-N
MW414.66 g/mol
LogP3.62
Rot. Bonds5

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

N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide (PubChem CID 135372291) has the molecular formula C12H11BrClF2N3O2S and a molecular weight of 414.66 g/mol. Its IUPAC name is N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide.

Molecular Properties

Compound NameN-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide
PubChem CID135372291
Molecular FormulaC12H11BrClF2N3O2S
Molecular Weight414.66 g/mol
Exact Mass412.94
IUPAC NameN-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide
SMILESO=S(=O)(Nc1nn(CC(F)F)c2c(Br)ccc(Cl)c12)C1CC1
InChIInChI=1S/C12H11BrClF2N3O2S/c13-7-3-4-8(14)10-11(7)19(5-9(15)16)17-12(10)18-22(20,21)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,17,18)
InChIKeyKVAPLICGHKBWAQ-UHFFFAOYSA-N
XLogP3.62
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.66
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide?
The IUPAC name of N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide (CID 135372291) is N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide.
What is the SMILES notation for N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide?
The canonical SMILES for N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide is O=S(=O)(Nc1nn(CC(F)F)c2c(Br)ccc(Cl)c12)C1CC1.
What is the InChIKey of N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide?
The InChIKey is KVAPLICGHKBWAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrClF2N3O2S/c13-7-3-4-8(14)10-11(7)19(5-9(15)16)17-12(10)18-22(20,21)6-1-2-6/h3-4,6,9H,1-2,5H2,(H,17,18).
What are the key properties of N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide?
N-[7-bromo-4-chloro-1-(2,2-difluoroethyl)indazol-3-yl]cyclopropanesulfonamide has a molecular weight of 414.66 g/mol, XLogP of 3.62, 5 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]cyclopropanesulfonamide is sourced from PubChem (CID 135372291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).