1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole

C10H10INO2S — CID 3753504

IUPAC1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole
SMILESO=S(=O)(c1ccc(I)cc1)N1CC=CC1
InChIInChI=1S/C10H10INO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-6H,7-8H2
InChIKeyORKLFROXOMZAKV-UHFFFAOYSA-N
MW335.17 g/mol
LogP1.85
Rot. Bonds2

About 1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole

1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole (PubChem CID 3753504) has the molecular formula C10H10INO2S and a molecular weight of 335.17 g/mol. Its IUPAC name is 1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole
PubChem CID3753504
Molecular FormulaC10H10INO2S
Molecular Weight335.17 g/mol
Exact Mass334.95
IUPAC Name1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole
SMILESO=S(=O)(c1ccc(I)cc1)N1CC=CC1
InChIInChI=1S/C10H10INO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-6H,7-8H2
InChIKeyORKLFROXOMZAKV-UHFFFAOYSA-N
XLogP1.85
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.17
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3Z,7Z)-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 101406646
1-[4-(4-iodophenyl)sulfonylpiperazin-1-yl]ethanone
CID 16645259
3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 67222791
(3S)-3-fluoro-1-(4-iodophenyl)sulfonylpyrrolidine
CID 58293231
1-(4-iodophenyl)sulfonylpyrrolidin-3-ol
CID 62918644
(8Z)-1,6-bis-(4-methylphenyl)sulfonyl-2,3,4,5,7,10-hexahydro-1,6-diazecine
CID 102269003
(3S)-1-(4-iodophenyl)sulfonylpiperidin-3-ol
CID 71654100
(2S)-1,4-bis[(4-iodophenyl)sulfonyl]-2-methylpiperazine
CID 92905831
(3Z,7E)-4-methyl-1-(4-methylphenyl)sulfonyl-2,5,6,9-tetrahydroazonine
CID 25111305
4-(4-iodophenyl)sulfonyl-1,4-diazepan-2-one
CID 62898004
1-(4-bromo-3-methylphenyl)sulfonyl-2,5-dihydropyrrole
CID 166178395
1-(3-fluorophenyl)sulfonyl-2,5-dihydropyrrole
CID 3830927

Frequently Asked Questions

What is the IUPAC name of 1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole?
The IUPAC name of 1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole (CID 3753504) is 1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole?
The canonical SMILES for 1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole is O=S(=O)(c1ccc(I)cc1)N1CC=CC1.
What is the InChIKey of 1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole?
The InChIKey is ORKLFROXOMZAKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10INO2S/c11-9-3-5-10(6-4-9)15(13,14)12-7-1-2-8-12/h1-6H,7-8H2.
What are the key properties of 1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole?
1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole has a molecular weight of 335.17 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-iodophenyl)sulfonyl-2,5-dihydropyrrole is sourced from PubChem (CID 3753504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).