1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine

C13H11IN2O2S — CID 67961663

IUPAC1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCc2cc(I)cnc21
InChIInChI=1S/C13H11IN2O2S/c14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12/h1-5,8-9H,6-7H2
InChIKeyLEKDAPMMKHYLBG-UHFFFAOYSA-N
MW386.21 g/mol
LogP2.44
Rot. Bonds2

About 1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine (PubChem CID 67961663) has the molecular formula C13H11IN2O2S and a molecular weight of 386.21 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine
PubChem CID67961663
Molecular FormulaC13H11IN2O2S
Molecular Weight386.21 g/mol
Exact Mass385.96
IUPAC Name1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine
SMILESO=S(=O)(c1ccccc1)N1CCc2cc(I)cnc21
InChIInChI=1S/C13H11IN2O2S/c14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12/h1-5,8-9H,6-7H2
InChIKeyLEKDAPMMKHYLBG-UHFFFAOYSA-N
XLogP2.44
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.21
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(benzenesulfonyl)-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]but-3-en-2-one
CID 123305207
methyl 3-[1-(benzenesulfonyl)-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enoate
CID 123716885
1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
CID 86768717
1-(3-methoxyphenyl)sulfonyl-5-pyridin-4-yl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 118714831
(E)-3-[1-(3-nitrophenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]prop-2-enoic acid
CID 118445137
1-(3-methoxyphenyl)sulfonyl-5-pyridin-3-yl-2,3-dihydropyrrolo[2,3-b]pyridine
CID 118714832
1-(benzenesulfonyl)-5-methyl-2,3-dihydroindole
CID 110713907
1-(benzenesulfonyl)-2,3-dihydroindol-5-amine
CID 16642564
N-hydroxy-1-(4-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridine-5-carboxamide
CID 118437679
1-(benzenesulfonyl)-5-bromo-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;1-(benzenesulfonyl)-5-isocyano-6-methyl-2,3-dihydropyrrolo[2,3-b]pyridine;methane
CID 158662215
1-(benzenesulfonyl)-5-iodopyrrolo[2,3-b]pyridine-2-carboxylic acid
CID 71299156
(2E)-2-[[1-(3-methoxyphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-5-yl]methylidene]-3,3-dimethylbutanoic acid
CID 126618212

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine (CID 67961663) is 1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine is O=S(=O)(c1ccccc1)N1CCc2cc(I)cnc21.
What is the InChIKey of 1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine?
The InChIKey is LEKDAPMMKHYLBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11IN2O2S/c14-11-8-10-6-7-16(13(10)15-9-11)19(17,18)12-4-2-1-3-5-12/h1-5,8-9H,6-7H2.
What are the key properties of 1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine?
1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine has a molecular weight of 386.21 g/mol, XLogP of 2.44, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-5-iodo-2,3-dihydropyrrolo[2,3-b]pyridine is sourced from PubChem (CID 67961663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).