(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one

C13H10ClNOS — CID 26367680

IUPAC(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@H]1Cc1cccs1
InChIInChI=1S/C13H10ClNOS/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-6,11H,7H2,(H,15,16)/t11-/m0/s1
InChIKeyHZRGWHGJOUIYBL-NSHDSACASA-N
MW263.75 g/mol
LogP3.68
Rot. Bonds2

About (3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one

(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one (PubChem CID 26367680) has the molecular formula C13H10ClNOS and a molecular weight of 263.75 g/mol. Its IUPAC name is (3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
PubChem CID26367680
Molecular FormulaC13H10ClNOS
Molecular Weight263.75 g/mol
Exact Mass263.02
IUPAC Name(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one
SMILESO=C1Nc2ccc(Cl)cc2[C@@H]1Cc1cccs1
InChIInChI=1S/C13H10ClNOS/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-6,11H,7H2,(H,15,16)/t11-/m0/s1
InChIKeyHZRGWHGJOUIYBL-NSHDSACASA-N
XLogP3.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.75
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one?
The IUPAC name of (3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one (CID 26367680) is (3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one.
What is the SMILES notation for (3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one?
The canonical SMILES for (3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one is O=C1Nc2ccc(Cl)cc2[C@@H]1Cc1cccs1.
What is the InChIKey of (3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one?
The InChIKey is HZRGWHGJOUIYBL-NSHDSACASA-N. The full InChI is InChI=1S/C13H10ClNOS/c14-8-3-4-12-10(6-8)11(13(16)15-12)7-9-2-1-5-17-9/h1-6,11H,7H2,(H,15,16)/t11-/m0/s1.
What are the key properties of (3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one?
(3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one has a molecular weight of 263.75 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-chloro-3-(thiophen-2-ylmethyl)-1,3-dihydroindol-2-one is sourced from PubChem (CID 26367680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).