4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine

C11H14ClNO3S2 — CID 27241340

IUPAC4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C11H14ClNO3S2/c1-16-10-3-2-9(12)8-11(10)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyDHRNGLMBYLKDHD-UHFFFAOYSA-N
MW307.82 g/mol
LogP2.09
Rot. Bonds3

About 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine

4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine (PubChem CID 27241340) has the molecular formula C11H14ClNO3S2 and a molecular weight of 307.82 g/mol. Its IUPAC name is 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine.

Molecular Properties

Compound Name4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
PubChem CID27241340
Molecular FormulaC11H14ClNO3S2
Molecular Weight307.82 g/mol
Exact Mass307.01
IUPAC Name4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CCSCC1
InChIInChI=1S/C11H14ClNO3S2/c1-16-10-3-2-9(12)8-11(10)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3
InChIKeyDHRNGLMBYLKDHD-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine 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

1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 757936
4-(5-chloro-2-methoxyphenyl)sulfonylmorpholine
CID 5201304
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
CID 3291316
3-(5-chloro-2-methoxyphenyl)sulfonyl-1,3-oxazolidine
CID 110740103
1-(1-adamantyl)-4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-ium
CID 7290357
4-benzyl-1-(5-chloro-2-methoxyphenyl)sulfonylpiperidine
CID 1106586
1-(5-chloro-2-methoxyphenyl)-4-(2,5-dimethoxyphenyl)sulfonylpiperazine
CID 3496187
3-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-6-methylpyridazine
CID 121061024
1-[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-2-(methylamino)ethanone
CID 120705100
[4-(5-chloro-2-methoxyphenyl)sulfonylpiperazin-1-yl]-cyclobutylmethanone
CID 110818768
2-[1-(5-chloro-2-methoxyphenyl)sulfonylpiperidin-4-yl]sulfonyl-N-methylacetamide
CID 90592852
2-(4-chloro-2-thiomorpholin-4-ylsulfonylphenoxy)-N-cyclopentylacetamide
CID 27241017

Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine?
The IUPAC name of 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine (CID 27241340) is 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine.
What is the SMILES notation for 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine?
The canonical SMILES for 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine is COc1ccc(Cl)cc1S(=O)(=O)N1CCSCC1.
What is the InChIKey of 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine?
The InChIKey is DHRNGLMBYLKDHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO3S2/c1-16-10-3-2-9(12)8-11(10)18(14,15)13-4-6-17-7-5-13/h2-3,8H,4-7H2,1H3.
What are the key properties of 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine?
4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine has a molecular weight of 307.82 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-methoxyphenyl)sulfonylthiomorpholine is sourced from PubChem (CID 27241340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).