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

C23H32ClN3O4SSi — CID 123926785

IUPACN-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
SMILESCC(CO)(c1ccc(Cl)cc1)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21
InChIInChI=1S/C23H32ClN3O4SSi/c1-23(16-28,18-9-11-19(24)12-10-18)27-22-8-6-7-21(20(22)15-25-27)26(32(2,29)30)17-31-13-14-33(3,4)5/h6-12,15,28H,13-14,16-17H2,1-5H3
InChIKeyVZVSGFJRXGVLDH-UHFFFAOYSA-N
MW510.13 g/mol
LogP4.52
Rot. Bonds10

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

N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide (PubChem CID 123926785) has the molecular formula C23H32ClN3O4SSi and a molecular weight of 510.13 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
PubChem CID123926785
Molecular FormulaC23H32ClN3O4SSi
Molecular Weight510.13 g/mol
Exact Mass509.16
IUPAC NameN-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
SMILESCC(CO)(c1ccc(Cl)cc1)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21
InChIInChI=1S/C23H32ClN3O4SSi/c1-23(16-28,18-9-11-19(24)12-10-18)27-22-8-6-7-21(20(22)15-25-27)26(32(2,29)30)17-31-13-14-33(3,4)5/h6-12,15,28H,13-14,16-17H2,1-5H3
InChIKeyVZVSGFJRXGVLDH-UHFFFAOYSA-N
XLogP4.52
TPSA84.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.13
LogP ≤ 54.52
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-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide
CID 57524309
N-[1-[(2R)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 155565026
N-tert-butyl-N-[1-[2-(4-chlorophenyl)-4,4,4-trifluoro-1-hydroxybutan-2-yl]indazol-4-yl]carbamate
CID 153960338
Tert-butyl-[1-[2-(4-chlorophenyl)-4,4,4-trifluoro-1-hydroxybutan-2-yl]indazol-4-yl]carbamic acid
CID 153960339
N-(1-(2-(4-chlorophenyl)-1-hydroxybutan-2-yl)-1H-indazol-4-yl)-N-((2-(trimethylsilyl) ethoxy)methyl)methanesulfonamide
CID 57524055
N-[1-[(2S)-2-(4-chlorophenyl)-1-hydroxybutan-2-yl]indol-4-yl]methanesulfonamide
CID 57524310
methyl 2-(4-chlorophenyl)-2-(4-(methylsulfonamido)-1H-indazol-1-yl)butanoate
CID 57524868
tert-butyl 1-[3-(4-chlorophenyl)-2-hydroxypentan-3-yl]-1H-indazol-4-ylcarbamate
CID 68176123
tert-butyl 1-(2-(4-chlorophenyl)-1-hydroxybutan-2-yl)-1H-indazol-4-ylcarbamate
CID 70560487
3-(4-Aminoindazol-1-yl)-3-(4-chlorophenyl)pentan-2-ol
CID 70560826
1-[1-[3-(4-Chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]-3-methylsulfonylurea
CID 70560995
N-[1-[2-(4-chlorophenyl)-1-methoxybutan-2-yl]indazol-4-yl]methanesulfonamide
CID 70561348

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide (CID 123926785) is N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide is CC(CO)(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-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The InChIKey is VZVSGFJRXGVLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H32ClN3O4SSi/c1-23(16-28,18-9-11-19(24)12-10-18)27-22-8-6-7-21(20(22)15-25-27)26(32(2,29)30)17-31-13-14-33(3,4)5/h6-12,15,28H,13-14,16-17H2,1-5H3.
What are the key properties of N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide has a molecular weight of 510.13 g/mol, XLogP of 4.52, 10 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)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide is sourced from PubChem (CID 123926785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).