3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one

C17H16ClNOS — CID 17257492

IUPAC3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCSc1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C17H16ClNOS/c18-14-5-7-15(8-6-14)21-12-10-17(20)19-11-9-13-3-1-2-4-16(13)19/h1-8H,9-12H2
InChIKeyABRRRLADCZLYRL-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.41
Rot. Bonds4

About 3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one

3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 17257492) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
PubChem CID17257492
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
SMILESO=C(CCSc1ccc(Cl)cc1)N1CCc2ccccc21
InChIInChI=1S/C17H16ClNOS/c18-14-5-7-15(8-6-14)21-12-10-17(20)19-11-9-13-3-1-2-4-16(13)19/h1-8H,9-12H2
InChIKeyABRRRLADCZLYRL-UHFFFAOYSA-N
XLogP4.41
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 738382
1,4-bis(2,3-dihydroindol-1-yl)butane-1,4-dione
CID 741114
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 2401723
1,6-bis(2,3-dihydroindol-1-yl)hexane-1,6-dione
CID 3096475
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 3-(4-fluorophenyl)sulfanylpropanoate
CID 55312569
2-(2-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)ethanone
CID 2382799
1-(3,4-dihydro-2H-quinolin-1-yl)-3-[3-(3,4-dihydro-2H-quinolin-1-yl)-3-oxopropyl]sulfanylpropan-1-one
CID 3609864
3-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 24674722
6-(2,3-dihydroindol-1-yl)-6-oxohexanoic acid
CID 22906002
1,3-bis(2,3-dihydroindol-1-yl)propan-1-one
CID 109034718
1-(2,3-dihydroindol-1-yl)-3-(1-phenyltetrazol-5-yl)sulfanylpropan-1-one
CID 23917352
3-amino-1-(6-chloro-2,3-dihydroindol-1-yl)propan-1-one
CID 119310127

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The IUPAC name of 3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 17257492) is 3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one.
What is the SMILES notation for 3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The canonical SMILES for 3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one is O=C(CCSc1ccc(Cl)cc1)N1CCc2ccccc21.
What is the InChIKey of 3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
The InChIKey is ABRRRLADCZLYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c18-14-5-7-15(8-6-14)21-12-10-17(20)19-11-9-13-3-1-2-4-16(13)19/h1-8H,9-12H2.
What are the key properties of 3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one?
3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 317.84 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 17257492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).