N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide

C16H25ClFIN2O3SSi — CID 155656191

IUPACN-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide
SMILESC[Si](C)(C)CCOCN(c1ccc(F)c(I)c1Cl)S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H25ClFIN2O3SSi/c1-26(2,3)11-10-24-12-21(25(22,23)20-8-4-5-9-20)14-7-6-13(18)16(19)15(14)17/h6-7H,4-5,8-12H2,1-3H3
InChIKeyZULTXPJXEZOLHM-UHFFFAOYSA-N
MW534.90 g/mol
LogP4.54
Rot. Bonds8

About N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide

N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide (PubChem CID 155656191) has the molecular formula C16H25ClFIN2O3SSi and a molecular weight of 534.90 g/mol. Its IUPAC name is N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide
PubChem CID155656191
Molecular FormulaC16H25ClFIN2O3SSi
Molecular Weight534.90 g/mol
Exact Mass534.01
IUPAC NameN-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide
SMILESC[Si](C)(C)CCOCN(c1ccc(F)c(I)c1Cl)S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H25ClFIN2O3SSi/c1-26(2,3)11-10-24-12-21(25(22,23)20-8-4-5-9-20)14-7-6-13(18)16(19)15(14)17/h6-7H,4-5,8-12H2,1-3H3
InChIKeyZULTXPJXEZOLHM-UHFFFAOYSA-N
XLogP4.54
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.90
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide 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-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide
CID 155656211
N-[1-[1-(4-chlorophenyl)-1-cyclopropylpropyl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
CID 123861726
N-[1-[2-(4-chlorophenyl)-1-hydroxypropan-2-yl]indazol-4-yl]-N-(2-trimethylsilylethoxymethyl)methanesulfonamide
CID 123926785
N-[2-(4-chlorophenoxy)ethyl]piperidine-1-sulfonamide
CID 47149085
N-[(4-chlorophenyl)methyl]-N-methyl-5-piperidin-1-ylsulfonylpyridin-2-amine
CID 9195091
methyl 4-[2-[2-[2-[4-[3-[2,6-difluoro-3-[[(3R)-3-fluoropyrrolidin-1-yl]sulfonyl-(2-trimethylsilylethoxymethyl)amino]benzoyl]-1-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyridin-5-yl]phenoxy]ethoxy]ethoxy]ethoxy]-2-(3-methyl-1,2-oxazol-5-yl)butanoate
CID 153486113
N-(3-aminopropyl)-N-(2-methylphenyl)pyrrolidine-1-sulfonamide
CID 43318687
2-(4-chlorophenoxy)ethyl 3-(4-pyrrolidin-1-ylsulfonylphenyl)propanoate
CID 38130843
N-(2-amino-5-chlorophenyl)-N-methylpyrrolidine-1-sulfonamide
CID 107465924
1-(3-chloro-4-fluorophenyl)sulfonylpyrrolidine
CID 697773
4-[(4-chlorophenyl)methyl]-N,N-dimethylpiperazine-1-sulfonamide
CID 34781987
N-(3-aminopropyl)-N-(2-methylphenyl)piperidine-1-sulfonamide
CID 43318689

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide?
The IUPAC name of N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide (CID 155656191) is N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide.
What is the SMILES notation for N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide?
The canonical SMILES for N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide is C[Si](C)(C)CCOCN(c1ccc(F)c(I)c1Cl)S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide?
The InChIKey is ZULTXPJXEZOLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClFIN2O3SSi/c1-26(2,3)11-10-24-12-21(25(22,23)20-8-4-5-9-20)14-7-6-13(18)16(19)15(14)17/h6-7H,4-5,8-12H2,1-3H3.
What are the key properties of N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide?
N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide has a molecular weight of 534.90 g/mol, XLogP of 4.54, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluoro-3-iodophenyl)-N-(2-trimethylsilylethoxymethyl)pyrrolidine-1-sulfonamide is sourced from PubChem (CID 155656191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).