4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine

C17H16IN3O3S — CID 67051512

IUPAC4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine
SMILESO=S(=O)(c1ccccc1)n1cc(I)c2cc(N3CCOCC3)cnc21
InChIInChI=1S/C17H16IN3O3S/c18-16-12-21(25(22,23)14-4-2-1-3-5-14)17-15(16)10-13(11-19-17)20-6-8-24-9-7-20/h1-5,10-12H,6-9H2
InChIKeyAAFBMQUSGXNUEP-UHFFFAOYSA-N
MW469.30 g/mol
LogP2.71
Rot. Bonds3

About 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine

4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine (PubChem CID 67051512) has the molecular formula C17H16IN3O3S and a molecular weight of 469.30 g/mol. Its IUPAC name is 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine.

Molecular Properties

Compound Name4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine
PubChem CID67051512
Molecular FormulaC17H16IN3O3S
Molecular Weight469.30 g/mol
Exact Mass469.00
IUPAC Name4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine
SMILESO=S(=O)(c1ccccc1)n1cc(I)c2cc(N3CCOCC3)cnc21
InChIInChI=1S/C17H16IN3O3S/c18-16-12-21(25(22,23)14-4-2-1-3-5-14)17-15(16)10-13(11-19-17)20-6-8-24-9-7-20/h1-5,10-12H,6-9H2
InChIKeyAAFBMQUSGXNUEP-UHFFFAOYSA-N
XLogP2.71
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.30
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-(3-iodo-1-sulfanylpyrrolo[2,3-b]pyridin-5-yl)morpholine
CID 129162983
5-[3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]-1,3,3a,4,6,6a-hexahydrofuro[3,4-c]pyrrole
CID 135332485
1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide
CID 67085911
sodium;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;hydride
CID 158954365
4-[6-[9-(benzenesulfonyl)-3-chloropyrido[2,3-b]indol-6-yl]-3-pyridinyl]morpholine
CID 46186690
5-[4-[4-(2-butoxyethyl)piperazin-1-yl]phenyl]-3-iodo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 90064857
4-[4-[1-(benzenesulfonyl)-4-bromopyrrolo[2,3-b]pyridin-2-yl]phenyl]morpholine
CID 69000477
4-[4-[1-(benzenesulfonyl)-3-(1-methylpyrazol-4-yl)pyrrolo[2,3-b]pyridin-5-yl]cyclohexyl]morpholine
CID 59238624
4-[5-[1-(benzenesulfonyl)-3-[1-(1-ethylpiperidin-4-yl)pyrazol-4-yl]pyrrolo[2,3-b]pyridin-5-yl]-3-methyl-2-pyridinyl]morpholine
CID 170065512
4-[1-(4-methylphenyl)sulfonyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]-1-[(2,3,4-trifluorophenyl)methyl]pyridin-2-one
CID 135332455
1-[[3-chloro-4-(trifluoromethyl)phenyl]methyl]-4-[1-(4-methylphenyl)sulfonyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 135332427
1-[(5-chloro-2-methoxyphenyl)methyl]-4-[1-(4-methylphenyl)sulfonyl-5-morpholin-4-ylpyrrolo[2,3-b]pyridin-3-yl]pyridin-2-one
CID 135332429

Frequently Asked Questions

What is the IUPAC name of 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine?
The IUPAC name of 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine (CID 67051512) is 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine.
What is the SMILES notation for 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine?
The canonical SMILES for 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine is O=S(=O)(c1ccccc1)n1cc(I)c2cc(N3CCOCC3)cnc21.
What is the InChIKey of 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine?
The InChIKey is AAFBMQUSGXNUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3O3S/c18-16-12-21(25(22,23)14-4-2-1-3-5-14)17-15(16)10-13(11-19-17)20-6-8-24-9-7-20/h1-5,10-12H,6-9H2.
What are the key properties of 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine?
4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine has a molecular weight of 469.30 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine is sourced from PubChem (CID 67051512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).