3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine

C11H14BrNO3S2 — CID 1236384

IUPAC3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCSC1
InChIInChI=1S/C11H14BrNO3S2/c1-2-16-10-4-3-9(12)7-11(10)18(14,15)13-5-6-17-8-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyXDLJHFMRYMQYGD-UHFFFAOYSA-N
MW352.28 g/mol
LogP2.54
Rot. Bonds4

About 3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine

3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine (PubChem CID 1236384) has the molecular formula C11H14BrNO3S2 and a molecular weight of 352.28 g/mol. Its IUPAC name is 3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine.

Molecular Properties

Compound Name3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine
PubChem CID1236384
Molecular FormulaC11H14BrNO3S2
Molecular Weight352.28 g/mol
Exact Mass350.96
IUPAC Name3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine
SMILESCCOc1ccc(Br)cc1S(=O)(=O)N1CCSC1
InChIInChI=1S/C11H14BrNO3S2/c1-2-16-10-4-3-9(12)7-11(10)18(14,15)13-5-6-17-8-13/h3-4,7H,2,5-6,8H2,1H3
InChIKeyXDLJHFMRYMQYGD-UHFFFAOYSA-N
XLogP2.54
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.28
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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4-Bromo-2-(1-pyrrolidinylsulfonyl)phenyl ethyl ether
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4-[(5-Bromo-2-ethoxyphenyl)sulfonyl]-2,6-dimethylmorpholine
CID 2933068
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CID 935464
1-(5-Bromo-2-ethoxyphenyl)sulfonyl-4-methyl-1,4-diazepane
CID 2561928
5-bromo-N-cyclopentyl-2-ethoxybenzenesulfonamide
CID 4789633
4-((5-Bromo-2-methoxyphenyl)sulfonyl)morpholine
CID 775747
5-Bromo-2-(propan-2-yloxy)benzene-1-sulfonamide
CID 62104987
5-bromo-N-[2-(dimethylamino)ethyl]-2-ethoxybenzenesulfonamide
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CID 16296104

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The IUPAC name of 3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine (CID 1236384) is 3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine.
What is the SMILES notation for 3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The canonical SMILES for 3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine is CCOc1ccc(Br)cc1S(=O)(=O)N1CCSC1.
What is the InChIKey of 3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
The InChIKey is XDLJHFMRYMQYGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrNO3S2/c1-2-16-10-4-3-9(12)7-11(10)18(14,15)13-5-6-17-8-13/h3-4,7H,2,5-6,8H2,1H3.
What are the key properties of 3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine?
3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine has a molecular weight of 352.28 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-ethoxyphenyl)sulfonyl-1,3-thiazolidine is sourced from PubChem (CID 1236384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).