N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide

C14H22ClF2IN2O3SSi — CID 155656211

IUPACN-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide
SMILESC[Si](C)(C)CCOCN(c1ncc(F)c(I)c1Cl)S(=O)(=O)CCCF
InChIInChI=1S/C14H22ClF2IN2O3SSi/c1-25(2,3)8-6-23-10-20(24(21,22)7-4-5-16)14-12(15)13(18)11(17)9-19-14/h9H,4-8,10H2,1-3H3
InChIKeyDPEPIOMVUNGOMA-UHFFFAOYSA-N
MW526.85 g/mol
LogP4.29
Rot. Bonds10

About N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide

N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide (PubChem CID 155656211) has the molecular formula C14H22ClF2IN2O3SSi and a molecular weight of 526.85 g/mol. Its IUPAC name is N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide
PubChem CID155656211
Molecular FormulaC14H22ClF2IN2O3SSi
Molecular Weight526.85 g/mol
Exact Mass525.98
IUPAC NameN-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide
SMILESC[Si](C)(C)CCOCN(c1ncc(F)c(I)c1Cl)S(=O)(=O)CCCF
InChIInChI=1S/C14H22ClF2IN2O3SSi/c1-25(2,3)8-6-23-10-20(24(21,22)7-4-5-16)14-12(15)13(18)11(17)9-19-14/h9H,4-8,10H2,1-3H3
InChIKeyDPEPIOMVUNGOMA-UHFFFAOYSA-N
XLogP4.29
TPSA59.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.85
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide?
The IUPAC name of N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide (CID 155656211) is N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide.
What is the SMILES notation for N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide?
The canonical SMILES for N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide is C[Si](C)(C)CCOCN(c1ncc(F)c(I)c1Cl)S(=O)(=O)CCCF.
What is the InChIKey of N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide?
The InChIKey is DPEPIOMVUNGOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClF2IN2O3SSi/c1-25(2,3)8-6-23-10-20(24(21,22)7-4-5-16)14-12(15)13(18)11(17)9-19-14/h9H,4-8,10H2,1-3H3.
What are the key properties of N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide?
N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide has a molecular weight of 526.85 g/mol, XLogP of 4.29, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-5-fluoro-4-iodo-2-pyridinyl)-3-fluoro-N-(2-trimethylsilylethoxymethyl)propane-1-sulfonamide is sourced from PubChem (CID 155656211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).