1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole

C11H12ClNO3S — CID 3291316

IUPAC1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CC=CC1
InChIInChI=1S/C11H12ClNO3S/c1-16-10-5-4-9(12)8-11(10)17(14,15)13-6-2-3-7-13/h2-5,8H,6-7H2,1H3
InChIKeyYCBOWXWUHSSPLH-UHFFFAOYSA-N
MW273.74 g/mol
LogP1.91
Rot. Bonds3

About 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole

1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole (PubChem CID 3291316) has the molecular formula C11H12ClNO3S and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
PubChem CID3291316
Molecular FormulaC11H12ClNO3S
Molecular Weight273.74 g/mol
Exact Mass273.02
IUPAC Name1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N1CC=CC1
InChIInChI=1S/C11H12ClNO3S/c1-16-10-5-4-9(12)8-11(10)17(14,15)13-6-2-3-7-13/h2-5,8H,6-7H2,1H3
InChIKeyYCBOWXWUHSSPLH-UHFFFAOYSA-N
XLogP1.91
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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methyl 5-chloro-2-methoxybenzenesulfonate
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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole?
The IUPAC name of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole (CID 3291316) is 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole?
The canonical SMILES for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole is COc1ccc(Cl)cc1S(=O)(=O)N1CC=CC1.
What is the InChIKey of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole?
The InChIKey is YCBOWXWUHSSPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO3S/c1-16-10-5-4-9(12)8-11(10)17(14,15)13-6-2-3-7-13/h2-5,8H,6-7H2,1H3.
What are the key properties of 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole?
1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole has a molecular weight of 273.74 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methoxyphenyl)sulfonyl-2,5-dihydropyrrole is sourced from PubChem (CID 3291316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).