N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide

C24H34ClN3O4SSi — CID 140624966

IUPACN-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide
SMILESCCC(CO)(c1ccc(Cl)cc1)n1ncc2c(C(NS(C)(=O)=O)OCC[Si](C)(C)C)cccc21
InChIInChI=1S/C24H34ClN3O4SSi/c1-6-24(17-29,18-10-12-19(25)13-11-18)28-22-9-7-8-20(21(22)16-26-28)23(27-33(2,30)31)32-14-15-34(3,4)5/h7-13,16,23,27,29H,6,14-15,17H2,1-5H3
InChIKeyRWSJYXJEUJMAHM-UHFFFAOYSA-N
MW524.16 g/mol
LogP4.74
Rot. Bonds11

About N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide

N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide (PubChem CID 140624966) has the molecular formula C24H34ClN3O4SSi and a molecular weight of 524.16 g/mol. Its IUPAC name is N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide.

Molecular Properties

Compound NameN-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide
PubChem CID140624966
Molecular FormulaC24H34ClN3O4SSi
Molecular Weight524.16 g/mol
Exact Mass523.17
IUPAC NameN-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide
SMILESCCC(CO)(c1ccc(Cl)cc1)n1ncc2c(C(NS(C)(=O)=O)OCC[Si](C)(C)C)cccc21
InChIInChI=1S/C24H34ClN3O4SSi/c1-6-24(17-29,18-10-12-19(25)13-11-18)28-22-9-7-8-20(21(22)16-26-28)23(27-33(2,30)31)32-14-15-34(3,4)5/h7-13,16,23,27,29H,6,14-15,17H2,1-5H3
InChIKeyRWSJYXJEUJMAHM-UHFFFAOYSA-N
XLogP4.74
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.16
LogP ≤ 54.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 155565026
N-(1-(2-(4-chlorophenyl)-1-hydroxybutan-2-yl)-1H-indazol-4-yl)-N-((2-(trimethylsilyl) ethoxy)methyl)methanesulfonamide
CID 57524055
N-(1-(3-(4-chlorophenyl)-2-hydroxypentan-3-yl)-1H-indazol-4-yl)methanesulfonamide
CID 70562766
N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 70564480
N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
CID 123707752
N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
CID 123876840
N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
CID 123926785
N-[[1-[2-(4-chlorophenyl)-1-oxobutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide
CID 140624958
[1-[3-(4-Chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]methanesulfonamide
CID 141498173
N-[[1-[(E)-3-(4-chlorophenyl)-1-cyanopent-1-en-3-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide
CID 142717330
N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-N-[ethoxy(trimethylsilyl)methyl]methanesulfonamide
CID 173601971
N-[1-[2-(4-chlorophenyl)-1-ethoxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 144415851

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide?
The IUPAC name of N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide (CID 140624966) is N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide.
What is the SMILES notation for N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide?
The canonical SMILES for N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide is CCC(CO)(c1ccc(Cl)cc1)n1ncc2c(C(NS(C)(=O)=O)OCC[Si](C)(C)C)cccc21.
What is the InChIKey of N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide?
The InChIKey is RWSJYXJEUJMAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O4SSi/c1-6-24(17-29,18-10-12-19(25)13-11-18)28-22-9-7-8-20(21(22)16-26-28)23(27-33(2,30)31)32-14-15-34(3,4)5/h7-13,16,23,27,29H,6,14-15,17H2,1-5H3.
What are the key properties of N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide?
N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide has a molecular weight of 524.16 g/mol, XLogP of 4.74, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]-(2-trimethylsilylethoxy)methyl]methanesulfonamide is sourced from PubChem (CID 140624966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).