5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione

C18H16N2O5S — CID 11624920

IUPAC5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc2C1=O
InChIInChI=1S/C18H16N2O5S/c21-17-15-10-14(6-7-16(15)19-18(17)22)26(23,24)20-9-8-12(20)11-25-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,19,21,22)/t12-/m0/s1
InChIKeyWWKKPLWKYQGHBF-LBPRGKRZSA-N
MW372.40 g/mol
LogP1.66
Rot. Bonds5

About 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione

5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione (PubChem CID 11624920) has the molecular formula C18H16N2O5S and a molecular weight of 372.40 g/mol. Its IUPAC name is 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione.

Molecular Properties

Compound Name5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione
PubChem CID11624920
Molecular FormulaC18H16N2O5S
Molecular Weight372.40 g/mol
Exact Mass372.08
IUPAC Name5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione
SMILESO=C1Nc2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc2C1=O
InChIInChI=1S/C18H16N2O5S/c21-17-15-10-14(6-7-16(15)19-18(17)22)26(23,24)20-9-8-12(20)11-25-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,19,21,22)/t12-/m0/s1
InChIKeyWWKKPLWKYQGHBF-LBPRGKRZSA-N
XLogP1.66
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.40
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-Methyl-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 5288850
Isatin Sulfonamide 34
CID 9847835
(S)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 9821545
(S)-1-(4-methoxybenzyl)-5-(2-phenoxymethyl-pyrrolidine-1-sulfonyl)-1H-indole-2,3-dione
CID 9914167
(S)-1-(4-(2-fluoroethoxy)benzyl)-5-(2-(phenoxymethyl)pyrrolidin-1-ylsulfonyl)indoline-2,3-dione
CID 11533935
(S)-1-(4-(2-(4-methylphenylsulfonyloxy)ethoxy)benzyl)-5-[1-(2-methoxymethylpyrrolidinyl)sulfonyl]isatin
CID 11541867
Isatin Sulfonamide 32
CID 9802549
Isatin Sulfonamide 35
CID 9805997
Isatin Sulfonamide 33
CID 9913141
(S)-1-benzyl-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
CID 11496333
(S)-1-(4-methylthiobenzyl)-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
CID 11497112
(S)-1-methyl-5-(2-phenoxymethyl-azetidine-1-sulfonyl)-1H-indole-2,3-dione
CID 11509289

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione?
The IUPAC name of 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione (CID 11624920) is 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione.
What is the SMILES notation for 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione?
The canonical SMILES for 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione is O=C1Nc2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc2C1=O.
What is the InChIKey of 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione?
The InChIKey is WWKKPLWKYQGHBF-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H16N2O5S/c21-17-15-10-14(6-7-16(15)19-18(17)22)26(23,24)20-9-8-12(20)11-25-13-4-2-1-3-5-13/h1-7,10,12H,8-9,11H2,(H,19,21,22)/t12-/m0/s1.
What are the key properties of 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione?
5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione has a molecular weight of 372.40 g/mol, XLogP of 1.66, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-2-(phenoxymethyl)azetidin-1-yl]sulfonyl-1H-indole-2,3-dione is sourced from PubChem (CID 11624920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).