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

C24H34ClN3O4SSi — CID 123707752

IUPACN-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
SMILESCC(CCO)(c1ccc(Cl)cc1)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21
InChIInChI=1S/C24H34ClN3O4SSi/c1-24(13-14-29,19-9-11-20(25)12-10-19)28-23-8-6-7-22(21(23)17-26-28)27(33(2,30)31)18-32-15-16-34(3,4)5/h6-12,17,29H,13-16,18H2,1-5H3
InChIKeyRRNHPPYEKAMTTC-UHFFFAOYSA-N
MW524.16 g/mol
LogP4.91
Rot. Bonds11

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

N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide (PubChem CID 123707752) has the molecular formula C24H34ClN3O4SSi and a molecular weight of 524.16 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
PubChem CID123707752
Molecular FormulaC24H34ClN3O4SSi
Molecular Weight524.16 g/mol
Exact Mass523.17
IUPAC NameN-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
SMILESCC(CCO)(c1ccc(Cl)cc1)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21
InChIInChI=1S/C24H34ClN3O4SSi/c1-24(13-14-29,19-9-11-20(25)12-10-19)28-23-8-6-7-22(21(23)17-26-28)27(33(2,30)31)18-32-15-16-34(3,4)5/h6-12,17,29H,13-16,18H2,1-5H3
InChIKeyRRNHPPYEKAMTTC-UHFFFAOYSA-N
XLogP4.91
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.16
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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'}

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Related Compounds

N-[1-[3-(4-chlorophenyl)pentan-3-yl]indazol-4-yl]methanesulfonamide
CID 155511242
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-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 70561348
1-[1-[3-(4-Chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]-3-methylsulfonylurea
CID 70561414
N-[1-[3-(4-chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]methanesulfonamide
CID 70562176
N-(1-(3-(4-chlorophenyl)-2-hydroxypentan-3-yl)-1H-indazol-4-yl)methanesulfonamide
CID 70562766
N-(1-(1-(4-chlorophenyl)-1-(2-cyanocyclopropyl)propyl)-1H-indazol-4-yl)-N-((2-(trimethylsilyl)ethoxy)methyl)methanesulfonamide
CID 70563960
N-[1-[2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 70564480
methyl 2-(4-chlorophenyl)-2-(4-(N-((2-(trimethylsilyl)ethoxy)methyl)methylsulfonamido)-1H-indazol-1-yl)butanoate
CID 70565947
N-(1-(2-(4-chlorophenyl)-1-oxobutan-2-yl)-1H-indazol-4-yl)-N-((2-(trimethylsilyl) ethoxy)methyl)methanesulfonamide
CID 86705041
(E)-N-(1-(3-(4-chlorophenyl)-1-cyanopent-1-en-3-yl)-1H-indazol-4-yl)-N-((2-(trimethylsilyl)ethoxy)methyl)methanesulfonamide
CID 86705042

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide (CID 123707752) is N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide is CC(CCO)(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)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The InChIKey is RRNHPPYEKAMTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O4SSi/c1-24(13-14-29,19-9-11-20(25)12-10-19)28-23-8-6-7-22(21(23)17-26-28)27(33(2,30)31)18-32-15-16-34(3,4)5/h6-12,17,29H,13-16,18H2,1-5H3.
What are the key properties of N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide has a molecular weight of 524.16 g/mol, XLogP of 4.91, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(4-chlorophenyl)-4-hydroxybutan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide is sourced from PubChem (CID 123707752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).