(3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

C22H24Cl2N2O4S — CID 58393849

IUPAC(3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESO=S1(=O)CCCN1c1cccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C22H24Cl2N2O4S/c23-14-9-19-18(20(24)10-14)12-21(25-7-5-16(27)13-25)22(19)30-17-4-1-3-15(11-17)26-6-2-8-31(26,28)29/h1,3-4,9-11,16,21-22,27H,2,5-8,12-13H2/t16-,21+,22+/m1/s1
InChIKeyYOTPJHAOCOHHIW-XGRCMKMKSA-N
MW483.42 g/mol
LogP3.64
Rot. Bonds4

About (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

(3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (PubChem CID 58393849) has the molecular formula C22H24Cl2N2O4S and a molecular weight of 483.42 g/mol. Its IUPAC name is (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
PubChem CID58393849
Molecular FormulaC22H24Cl2N2O4S
Molecular Weight483.42 g/mol
Exact Mass482.08
IUPAC Name(3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESO=S1(=O)CCCN1c1cccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC[C@@H](O)C2)c1
InChIInChI=1S/C22H24Cl2N2O4S/c23-14-9-19-18(20(24)10-14)12-21(25-7-5-16(27)13-25)22(19)30-17-4-1-3-15(11-17)26-6-2-8-31(26,28)29/h1,3-4,9-11,16,21-22,27H,2,5-8,12-13H2/t16-,21+,22+/m1/s1
InChIKeyYOTPJHAOCOHHIW-XGRCMKMKSA-N
XLogP3.64
TPSA70.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.42
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[[(1S,2S)-2-pyrrolidin-1-yl-2,3-dihydro-1H-inden-1-yl]oxy]phenyl]-1,2-thiazolidine 1,1-dioxide
CID 58394079
N-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-N-methylmethanesulfonamide
CID 58393467
(4S)-3-[3-[[(1S,2S)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 58393509
3-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-1,3-oxazolidine-2,4-dione
CID 58393683
1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazolidin-2-one
CID 58393764
1-[5-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-2-fluorophenyl]-3-methylimidazol-2-one
CID 58393852
1-[3-[[(1S,2S)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazol-2-one
CID 58394262
(4S)-3-[3-[[(1S,2R)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 67309681
N-[3-[[(1S,2R)-6-chloro-4-fluoro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-N-methylmethanesulfonamide
CID 67309796
N-[3-[[(1S,2S)-6-chloro-4-fluoro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-N-methylmethanesulfonamide
CID 67309798
1-[3-[[(1S,2R)-4,6-dichloro-2-[(3R)-3-hydroxypyrrolidin-1-yl]-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazol-2-one
CID 67310207
1-[3-[[(1S,2S)-4,6-dichloro-2-(3-hydroxypyrrolidin-1-yl)-2,3-dihydro-1H-inden-1-yl]oxy]-4-fluorophenyl]-3-methylimidazol-2-one
CID 67310210

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (CID 58393849) is (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is O=S1(=O)CCCN1c1cccc(O[C@H]2c3cc(Cl)cc(Cl)c3C[C@@H]2N2CC[C@@H](O)C2)c1.
What is the InChIKey of (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The InChIKey is YOTPJHAOCOHHIW-XGRCMKMKSA-N. The full InChI is InChI=1S/C22H24Cl2N2O4S/c23-14-9-19-18(20(24)10-14)12-21(25-7-5-16(27)13-25)22(19)30-17-4-1-3-15(11-17)26-6-2-8-31(26,28)29/h1,3-4,9-11,16,21-22,27H,2,5-8,12-13H2/t16-,21+,22+/m1/s1.
What are the key properties of (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
(3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol has a molecular weight of 483.42 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(1S,2S)-4,6-dichloro-1-[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenoxy]-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 58393849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).