1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide

C17H14IN3O3S — CID 67085911

IUPAC1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14IN3O3S/c18-15-10-21(25(23,24)13-4-2-1-3-5-13)16-14(15)8-11(9-19-16)17(22)20-12-6-7-12/h1-5,8-10,12H,6-7H2,(H,20,22)
InChIKeyAALMAEYUJRRMRU-UHFFFAOYSA-N
MW467.29 g/mol
LogP2.77
Rot. Bonds4

About 1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide

1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide (PubChem CID 67085911) has the molecular formula C17H14IN3O3S and a molecular weight of 467.29 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide
PubChem CID67085911
Molecular FormulaC17H14IN3O3S
Molecular Weight467.29 g/mol
Exact Mass466.98
IUPAC Name1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide
SMILESO=C(NC1CC1)c1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1
InChIInChI=1S/C17H14IN3O3S/c18-15-10-21(25(23,24)13-4-2-1-3-5-13)16-14(15)8-11(9-19-16)17(22)20-12-6-7-12/h1-5,8-10,12H,6-7H2,(H,20,22)
InChIKeyAALMAEYUJRRMRU-UHFFFAOYSA-N
XLogP2.77
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.29
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[1-(benzenesulfonyl)-3-iodopyrrolo[2,3-b]pyridin-5-yl]morpholine
CID 67051512
[1-(benzenesulfonyl)-5-methoxycarbonylpyrrolo[2,3-b]pyridin-3-yl]-trifluoroboranuide
CID 89405163
sodium;1-(benzenesulfonyl)-5-bromo-3-iodopyrrolo[2,3-b]pyridine;3-bromo-5-iodo-7H-cyclopenta[b]pyridine;hydride
CID 158954365
N-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 31327880
3-(benzenesulfonamido)-N-cyclopropylbenzamide
CID 17465618
(2R)-N-(4-benzamidocyclohexyl)-1-(benzenesulfonyl)pyrrolidine-2-carboxamide
CID 24717448
6-[4-(benzenesulfonamido)phenoxy]-N-cyclopropylpyridine-3-carboxamide
CID 53119974
4-(benzenesulfonamido)-N-cyclooctylbenzamide
CID 24635133
N-(4-hydroxycyclohexyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-5-carboxamide
CID 43394642
tert-butyl N-[3-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentyl]carbamate
CID 67345228
tert-butyl N-[(1R,3R)-3-[[5-amino-1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-4-yl]amino]cyclopentyl]carbamate
CID 67352141
3-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-cyclooctylbenzamide
CID 38102818

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide (CID 67085911) is 1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide is O=C(NC1CC1)c1cnc2c(c1)c(I)cn2S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide?
The InChIKey is AALMAEYUJRRMRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14IN3O3S/c18-15-10-21(25(23,24)13-4-2-1-3-5-13)16-14(15)8-11(9-19-16)17(22)20-12-6-7-12/h1-5,8-10,12H,6-7H2,(H,20,22).
What are the key properties of 1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide?
1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide has a molecular weight of 467.29 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-cyclopropyl-3-iodopyrrolo[2,3-b]pyridine-5-carboxamide is sourced from PubChem (CID 67085911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).