3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine

C11H14ClNO3S2 — CID 6494019

IUPAC3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCSC1
InChIInChI=1S/C11H14ClNO3S2/c1-8-5-10(16-2)11(6-9(8)12)18(14,15)13-3-4-17-7-13/h5-6H,3-4,7H2,1-2H3
InChIKeyMMRPEGCIUDNAES-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.35
Rot. Bonds3

About 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine

3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 6494019) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine
PubChem CID6494019
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine
SMILESCOc1cc(C)c(Cl)cc1S(=O)(=O)N1CCSC1
InChIInChI=1S/C11H14ClNO3S2/c1-8-5-10(16-2)11(6-9(8)12)18(14,15)13-3-4-17-7-13/h5-6H,3-4,7H2,1-2H3
InChIKeyMMRPEGCIUDNAES-UHFFFAOYSA-N
XLogP2.35
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine (CID 6494019) is 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine is COc1cc(C)c(Cl)cc1S(=O)(=O)N1CCSC1.
What is the InChIKey of 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is MMRPEGCIUDNAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-8-5-10(16-2)11(6-9(8)12)18(14,15)13-3-4-17-7-13/h5-6H,3-4,7H2,1-2H3.
What are the key properties of 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine?
3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 307.82 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloro-2-methoxy-4-methylphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 6494019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).