(3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one

C20H15ClN2OS — CID 155931532

IUPAC(3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@@]1(Cc1ccccn1)Sc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2OS/c21-14-8-10-16(11-9-14)25-20(13-15-5-3-4-12-22-15)17-6-1-2-7-18(17)23-19(20)24/h1-12H,13H2,(H,23,24)/t20-/m1/s1
InChIKeyMTTAICLNRKTPEK-HXUWFJFHSA-N
MW366.87 g/mol
LogP4.92
Rot. Bonds4

About (3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one

(3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one (PubChem CID 155931532) has the molecular formula C20H15ClN2OS and a molecular weight of 366.87 g/mol. Its IUPAC name is (3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one.

Molecular Properties

Compound Name(3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one
PubChem CID155931532
Molecular FormulaC20H15ClN2OS
Molecular Weight366.87 g/mol
Exact Mass366.06
IUPAC Name(3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one
SMILESO=C1Nc2ccccc2[C@@]1(Cc1ccccn1)Sc1ccc(Cl)cc1
InChIInChI=1S/C20H15ClN2OS/c21-14-8-10-16(11-9-14)25-20(13-15-5-3-4-12-22-15)17-6-1-2-7-18(17)23-19(20)24/h1-12H,13H2,(H,23,24)/t20-/m1/s1
InChIKeyMTTAICLNRKTPEK-HXUWFJFHSA-N
XLogP4.92
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
The IUPAC name of (3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one (CID 155931532) is (3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one.
What is the SMILES notation for (3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
The canonical SMILES for (3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one is O=C1Nc2ccccc2[C@@]1(Cc1ccccn1)Sc1ccc(Cl)cc1.
What is the InChIKey of (3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
The InChIKey is MTTAICLNRKTPEK-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H15ClN2OS/c21-14-8-10-16(11-9-14)25-20(13-15-5-3-4-12-22-15)17-6-1-2-7-18(17)23-19(20)24/h1-12H,13H2,(H,23,24)/t20-/m1/s1.
What are the key properties of (3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one?
(3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one has a molecular weight of 366.87 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-chlorophenyl)sulfanyl-3-(pyridin-2-ylmethyl)-1H-indol-2-one is sourced from PubChem (CID 155931532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).