N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide

C24H32ClN3O4SSi — CID 86705041

IUPACN-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
SMILESCCC(C=O)(c1ccc(Cl)cc1)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21
InChIInChI=1S/C24H32ClN3O4SSi/c1-6-24(17-29,19-10-12-20(25)13-11-19)28-23-9-7-8-22(21(23)16-26-28)27(33(2,30)31)18-32-14-15-34(3,4)5/h7-13,16-17H,6,14-15,18H2,1-5H3
InChIKeyYXCSOXWDNNQWQC-UHFFFAOYSA-N
MW522.14 g/mol
LogP5.12
Rot. Bonds11

About N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide

N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide (PubChem CID 86705041) has the molecular formula C24H32ClN3O4SSi and a molecular weight of 522.14 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
PubChem CID86705041
Molecular FormulaC24H32ClN3O4SSi
Molecular Weight522.14 g/mol
Exact Mass521.16
IUPAC NameN-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
SMILESCCC(C=O)(c1ccc(Cl)cc1)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21
InChIInChI=1S/C24H32ClN3O4SSi/c1-6-24(17-29,19-10-12-20(25)13-11-19)28-23-9-7-8-22(21(23)16-26-28)27(33(2,30)31)18-32-14-15-34(3,4)5/h7-13,16-17H,6,14-15,18H2,1-5H3
InChIKeyYXCSOXWDNNQWQC-UHFFFAOYSA-N
XLogP5.12
TPSA81.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.14
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide 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-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide (CID 86705041) is N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide is CCC(C=O)(c1ccc(Cl)cc1)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21.
What is the InChIKey of N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The InChIKey is YXCSOXWDNNQWQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN3O4SSi/c1-6-24(17-29,19-10-12-20(25)13-11-19)28-23-9-7-8-22(21(23)16-26-28)27(33(2,30)31)18-32-14-15-34(3,4)5/h7-13,16-17H,6,14-15,18H2,1-5H3.
What are the key properties of N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide has a molecular weight of 522.14 g/mol, XLogP of 5.12, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide is sourced from PubChem (CID 86705041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).