N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide

C25H34ClN3O4SSi — CID 123876840

IUPACN-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
SMILESC=C(OC)C(C)(c1ccc(Cl)cc1)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21
InChIInChI=1S/C25H34ClN3O4SSi/c1-19(32-3)25(2,20-11-13-21(26)14-12-20)29-24-10-8-9-23(22(24)17-27-29)28(34(4,30)31)18-33-15-16-35(5,6)7/h8-14,17H,1,15-16,18H2,2-7H3
InChIKeyGXBGYDFZFNVYHY-UHFFFAOYSA-N
MW536.17 g/mol
LogP5.69
Rot. Bonds11

About N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide

N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide (PubChem CID 123876840) has the molecular formula C25H34ClN3O4SSi and a molecular weight of 536.17 g/mol. Its IUPAC name is N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
PubChem CID123876840
Molecular FormulaC25H34ClN3O4SSi
Molecular Weight536.17 g/mol
Exact Mass535.17
IUPAC NameN-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
SMILESC=C(OC)C(C)(c1ccc(Cl)cc1)n1ncc2c(N(COCC[Si](C)(C)C)S(C)(=O)=O)cccc21
InChIInChI=1S/C25H34ClN3O4SSi/c1-19(32-3)25(2,20-11-13-21(26)14-12-20)29-24-10-8-9-23(22(24)17-27-29)28(34(4,30)31)18-33-15-16-35(5,6)7/h8-14,17H,1,15-16,18H2,2-7H3
InChIKeyGXBGYDFZFNVYHY-UHFFFAOYSA-N
XLogP5.69
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500536.17
LogP ≤ 55.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', '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)-3-methoxybut-3-en-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

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
methyl 2-(4-chlorophenyl)-2-(4-(methylsulfonamido)-1H-indazol-1-yl)butanoate
CID 57524868
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
1-[1-[3-(4-Chlorophenyl)-2-hydroxypentan-3-yl]indazol-4-yl]-3-methylsulfonylurea
CID 70561414
3-[1-[3-(4-Chlorophenyl)-2-hydroxy-2-methylpentan-3-yl]indazol-4-yl]-1,1-bis(methylsulfonyl)urea
CID 70562035
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

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The IUPAC name of N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide (CID 123876840) is N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide.
What is the SMILES notation for N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The canonical SMILES for N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide is C=C(OC)C(C)(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)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
The InChIKey is GXBGYDFZFNVYHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34ClN3O4SSi/c1-19(32-3)25(2,20-11-13-21(26)14-12-20)29-24-10-8-9-23(22(24)17-27-29)28(34(4,30)31)18-33-15-16-35(5,6)7/h8-14,17H,1,15-16,18H2,2-7H3.
What are the key properties of N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide?
N-[1-[2-(4-chlorophenyl)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide has a molecular weight of 536.17 g/mol, XLogP of 5.69, 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)-3-methoxybut-3-en-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide is sourced from PubChem (CID 123876840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).