1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol

C20H21N3O3S — CID 168941045

IUPAC1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol
SMILESO=S(=O)(c1ccc(N2CC(O)C2)c(-c2cc3ccccc3[nH]2)c1)N1CCC1
InChIInChI=1S/C20H21N3O3S/c24-15-12-22(13-15)20-7-6-16(27(25,26)23-8-3-9-23)11-17(20)19-10-14-4-1-2-5-18(14)21-19/h1-2,4-7,10-11,15,21,24H,3,8-9,12-13H2
InChIKeyZGLCDYWLNQFPFQ-UHFFFAOYSA-N
MW383.47 g/mol
LogP2.41
Rot. Bonds4

About 1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol

1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol (PubChem CID 168941045) has the molecular formula C20H21N3O3S and a molecular weight of 383.47 g/mol. Its IUPAC name is 1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol
PubChem CID168941045
Molecular FormulaC20H21N3O3S
Molecular Weight383.47 g/mol
Exact Mass383.13
IUPAC Name1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol
SMILESO=S(=O)(c1ccc(N2CC(O)C2)c(-c2cc3ccccc3[nH]2)c1)N1CCC1
InChIInChI=1S/C20H21N3O3S/c24-15-12-22(13-15)20-7-6-16(27(25,26)23-8-3-9-23)11-17(20)19-10-14-4-1-2-5-18(14)21-19/h1-2,4-7,10-11,15,21,24H,3,8-9,12-13H2
InChIKeyZGLCDYWLNQFPFQ-UHFFFAOYSA-N
XLogP2.41
TPSA76.64 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.47
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-[2-(1H-indol-2-yl)-4-methylsulfonylphenyl]pyrrolidin-3-ol
CID 168940614
(3S)-1-[4-cyclopropylsulfonyl-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-ol
CID 168940741
1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]-3-methylazetidin-3-ol;ethane;methanol;1-methylpiperazin-4-ide;uranium
CID 168940910
(3S)-1-[4-(S-cyclopropyl-N-methylsulfonimidoyl)-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-ol
CID 176573761
(3R)-4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-2-yl)phenyl]sulfonyl-1,3-dimethylpiperazin-2-one
CID 168940371
2-[5-(azetidin-1-ylsulfonyl)-2-pyrrolidin-1-ylphenyl]-1H-indole;7-methyl-2,7-diazaspiro[4.4]nonane-2-carbaldehyde;molecular hydrogen
CID 168941210
1-[[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)-N-methylanilino]methyl]cyclopropan-1-ol
CID 168940506
[(1R,2S,5S)-3-[4-(azetidin-1-yl)-3-(1H-indol-2-yl)phenyl]sulfonyl-3-azabicyclo[3.2.0]hept-6-yn-2-yl]-morpholin-4-ylmethanone
CID 168940573
3-(1H-indol-2-yl)-N,N-dimethyl-4-(3-oxopyrrolidin-1-yl)benzenesulfonamide
CID 168941261
1-[4-[(S)-ethylsulfinyl]-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-ol;formonitrile
CID 176573642
3-(5-imidazolidin-1-ylsulfonyl-1H-indol-2-yl)-1H-quinolin-2-one
CID 10178750
3-(1H-indol-2-yl)-N-methyl-N-[(2S)-1-morpholin-4-yl-1-oxopropan-2-yl]-4-pyrrolidin-1-ylbenzenesulfonamide
CID 168940994

Frequently Asked Questions

What is the IUPAC name of 1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol?
The IUPAC name of 1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol (CID 168941045) is 1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol.
What is the SMILES notation for 1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol?
The canonical SMILES for 1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol is O=S(=O)(c1ccc(N2CC(O)C2)c(-c2cc3ccccc3[nH]2)c1)N1CCC1.
What is the InChIKey of 1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol?
The InChIKey is ZGLCDYWLNQFPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3S/c24-15-12-22(13-15)20-7-6-16(27(25,26)23-8-3-9-23)11-17(20)19-10-14-4-1-2-5-18(14)21-19/h1-2,4-7,10-11,15,21,24H,3,8-9,12-13H2.
What are the key properties of 1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol?
1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol has a molecular weight of 383.47 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(azetidin-1-ylsulfonyl)-2-(1H-indol-2-yl)phenyl]azetidin-3-ol is sourced from PubChem (CID 168941045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).