[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone

C17H17N3O3S — CID 75474114

IUPAC[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C17H17N3O3S/c21-17(15-6-3-4-9-18-15)19-11-14(12-19)24(22,23)20-10-8-13-5-1-2-7-16(13)20/h1-7,9,14H,8,10-12H2
InChIKeySAFNCAFRDJMLEP-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.30
Rot. Bonds3

About [3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone

[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 75474114) has the molecular formula C17H17N3O3S and a molecular weight of 343.41 g/mol. Its IUPAC name is [3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone
PubChem CID75474114
Molecular FormulaC17H17N3O3S
Molecular Weight343.41 g/mol
Exact Mass343.10
IUPAC Name[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone
SMILESO=C(c1ccccn1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1
InChIInChI=1S/C17H17N3O3S/c21-17(15-6-3-4-9-18-15)19-11-14(12-19)24(22,23)20-10-8-13-5-1-2-7-16(13)20/h1-7,9,14H,8,10-12H2
InChIKeySAFNCAFRDJMLEP-UHFFFAOYSA-N
XLogP1.30
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-pyridin-2-ylpiperidin-3-yl)sulfonyl-2,3-dihydroindole
CID 91650455
[(3R)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 97343610
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(3-methylimidazol-4-yl)methanone
CID 126813423
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
1-[(3S)-3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-2-(triazol-1-yl)ethanone
CID 97343704
[3-(2,3-dihydroindol-1-ylsulfonyl)piperidin-1-yl]-(2,5-dimethyl-1,3-oxazol-4-yl)methanone
CID 126807446
(3,5-dimethyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110662556
(3-methyl-4-phenylpiperazin-1-yl)-pyridin-2-ylmethanone
CID 110741099
N-phenyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 75476115
[3-(fluoromethyl)azetidin-1-yl]-pyridin-2-ylmethanone
CID 121184939
(3,5-dimethylpiperazin-1-yl)-pyridin-2-ylmethanone;dihydrochloride
CID 119564691
(3-aminopyrrolidin-1-yl)-pyridin-2-ylmethanone
CID 59657975

Frequently Asked Questions

What is the IUPAC name of [3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone (CID 75474114) is [3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone is O=C(c1ccccn1)N1CC(S(=O)(=O)N2CCc3ccccc32)C1.
What is the InChIKey of [3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is SAFNCAFRDJMLEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3S/c21-17(15-6-3-4-9-18-15)19-11-14(12-19)24(22,23)20-10-8-13-5-1-2-7-16(13)20/h1-7,9,14H,8,10-12H2.
What are the key properties of [3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone?
[3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 343.41 g/mol, XLogP of 1.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,3-dihydroindol-1-ylsulfonyl)azetidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 75474114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).