2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide

C10H11ClINO2S — CID 107641044

IUPAC2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(c2ccc(Cl)cc2I)S(=O)(=O)C1
InChIInChI=1S/C10H11ClINO2S/c1-7-5-13(16(14,15)6-7)10-3-2-8(11)4-9(10)12/h2-4,7H,5-6H2,1H3
InChIKeyVKDHLYYTBVNGIC-UHFFFAOYSA-N
MW371.63 g/mol
LogP2.73
Rot. Bonds1

About 2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide

2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide (PubChem CID 107641044) has the molecular formula C10H11ClINO2S and a molecular weight of 371.63 g/mol. Its IUPAC name is 2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
PubChem CID107641044
Molecular FormulaC10H11ClINO2S
Molecular Weight371.63 g/mol
Exact Mass370.92
IUPAC Name2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide
SMILESCC1CN(c2ccc(Cl)cc2I)S(=O)(=O)C1
InChIInChI=1S/C10H11ClINO2S/c1-7-5-13(16(14,15)6-7)10-3-2-8(11)4-9(10)12/h2-4,7H,5-6H2,1H3
InChIKeyVKDHLYYTBVNGIC-UHFFFAOYSA-N
XLogP2.73
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.63
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide (CID 107641044) is 2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide is CC1CN(c2ccc(Cl)cc2I)S(=O)(=O)C1.
What is the InChIKey of 2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
The InChIKey is VKDHLYYTBVNGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClINO2S/c1-7-5-13(16(14,15)6-7)10-3-2-8(11)4-9(10)12/h2-4,7H,5-6H2,1H3.
What are the key properties of 2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide?
2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide has a molecular weight of 371.63 g/mol, XLogP of 2.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-iodophenyl)-4-methyl-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 107641044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).