1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol

C19H19ClN2OS — CID 176573531

IUPAC1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol
SMILESCSc1ccc(N2CCC(O)C2)c(-c2cc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C19H19ClN2OS/c1-24-15-4-5-19(22-7-6-14(23)11-22)16(10-15)18-8-12-2-3-13(20)9-17(12)21-18/h2-5,8-10,14,21,23H,6-7,11H2,1H3
InChIKeyUGFVGTDFXVDLHR-UHFFFAOYSA-N
MW358.89 g/mol
LogP4.78
Rot. Bonds3

About 1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol

1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol (PubChem CID 176573531) has the molecular formula C19H19ClN2OS and a molecular weight of 358.89 g/mol. Its IUPAC name is 1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol.

Molecular Properties

Compound Name1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol
PubChem CID176573531
Molecular FormulaC19H19ClN2OS
Molecular Weight358.89 g/mol
Exact Mass358.09
IUPAC Name1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol
SMILESCSc1ccc(N2CCC(O)C2)c(-c2cc3ccc(Cl)cc3[nH]2)c1
InChIInChI=1S/C19H19ClN2OS/c1-24-15-4-5-19(22-7-6-14(23)11-22)16(10-15)18-8-12-2-3-13(20)9-17(12)21-18/h2-5,8-10,14,21,23H,6-7,11H2,1H3
InChIKeyUGFVGTDFXVDLHR-UHFFFAOYSA-N
XLogP4.78
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.89
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-1-[2-(1H-indol-2-yl)-4-methylsulfonylphenyl]pyrrolidin-3-ol
CID 168940614
(3S)-1-[4-(S-cyclopropyl-N-methylsulfonimidoyl)-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-ol
CID 176573761
1-[4-[(S)-ethylsulfinyl]-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-ol;formonitrile
CID 176573642
(3S)-1-[4-cyclopropylsulfonyl-2-(1H-indol-2-yl)phenyl]pyrrolidin-3-ol
CID 168940741
5-chloro-2-(3-hydroxypyrrolidin-1-yl)benzonitrile
CID 62918333
(3R)-4-[4-[(3S)-3-hydroxypyrrolidin-1-yl]-3-(1H-indol-2-yl)phenyl]sulfonyl-1,3-dimethylpiperazin-2-one
CID 168940371
1-[4-ethylsulfanyl-2-(3-fluoro-7-methoxy-1H-indol-2-yl)phenyl]pyrrolidin-3-ol
CID 176573471
(6-chloro-1H-indol-2-yl)-(3-hydroxypiperidin-1-yl)methanone
CID 110888104
(2-chloro-5-methylsulfanylphenyl)-(3-hydroxypyrrolidin-1-yl)methanone
CID 62916589
(3S)-1-[2-(3-chloro-1H-indol-2-yl)-4-(methylsulfonimidoyl)phenyl]pyrrolidin-3-ol
CID 176573509
2-[5-(azetidin-1-ylsulfanyl)-2-piperidin-1-ylphenyl]-1H-indole
CID 168941138
(3S)-1-(2-fluoro-5-methoxyphenyl)pyrrolidin-3-ol
CID 129411689

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol?
The IUPAC name of 1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol (CID 176573531) is 1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol.
What is the SMILES notation for 1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol?
The canonical SMILES for 1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol is CSc1ccc(N2CCC(O)C2)c(-c2cc3ccc(Cl)cc3[nH]2)c1.
What is the InChIKey of 1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol?
The InChIKey is UGFVGTDFXVDLHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN2OS/c1-24-15-4-5-19(22-7-6-14(23)11-22)16(10-15)18-8-12-2-3-13(20)9-17(12)21-18/h2-5,8-10,14,21,23H,6-7,11H2,1H3.
What are the key properties of 1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol?
1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol has a molecular weight of 358.89 g/mol, XLogP of 4.78, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-chloro-1H-indol-2-yl)-4-methylsulfanylphenyl]pyrrolidin-3-ol is sourced from PubChem (CID 176573531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).