2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one

C17H16ClNOS — CID 112817769

IUPAC2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
SMILESCC(Sc1ccc(Cl)cn1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16ClNOS/c1-11(21-16-8-7-15(18)10-19-16)17(20)14-6-5-12-3-2-4-13(12)9-14/h5-11H,2-4H2,1H3
InChIKeyOWOFSRHIKALJHD-UHFFFAOYSA-N
MW317.84 g/mol
LogP4.59
Rot. Bonds4

About 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one

2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one (PubChem CID 112817769) has the molecular formula C17H16ClNOS and a molecular weight of 317.84 g/mol. Its IUPAC name is 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one.

Molecular Properties

Compound Name2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
PubChem CID112817769
Molecular FormulaC17H16ClNOS
Molecular Weight317.84 g/mol
Exact Mass317.06
IUPAC Name2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
SMILESCC(Sc1ccc(Cl)cn1)C(=O)c1ccc2c(c1)CCC2
InChIInChI=1S/C17H16ClNOS/c1-11(21-16-8-7-15(18)10-19-16)17(20)14-6-5-12-3-2-4-13(12)9-14/h5-11H,2-4H2,1H3
InChIKeyOWOFSRHIKALJHD-UHFFFAOYSA-N
XLogP4.59
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.84
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one with MolForge

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Related Compounds

(2R)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 42554777
(2S)-1-(2,3-dihydro-1H-inden-5-yl)-2-(1,3,4-thiadiazol-2-ylsulfanyl)propan-1-one
CID 41095867
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 43027234
2-[(5-bromo-2-pyridinyl)sulfanyl]-1-(3,4-difluorophenyl)propan-1-one
CID 61341373
(2R)-1-(4-chlorophenyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38976733
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010460
2-(1-tert-butyltetrazol-5-yl)sulfanyl-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 46639134
(2S)-2-(1,3-benzothiazol-2-ylsulfanyl)-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one
CID 7865199
6-[(2S)-1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 38968038
6-[1-(4-chlorophenyl)-1-oxopropan-2-yl]sulfanyl-N,N-dimethylpyridine-3-sulfonamide
CID 42952340
2-amino-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one;hydrochloride
CID 171323399
(2S)-1-(3-chlorophenyl)-2-[(5-piperidin-1-ylsulfonyl-2-pyridinyl)sulfanyl]propan-1-one
CID 38969397

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The IUPAC name of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one (CID 112817769) is 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one.
What is the SMILES notation for 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The canonical SMILES for 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one is CC(Sc1ccc(Cl)cn1)C(=O)c1ccc2c(c1)CCC2.
What is the InChIKey of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
The InChIKey is OWOFSRHIKALJHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClNOS/c1-11(21-16-8-7-15(18)10-19-16)17(20)14-6-5-12-3-2-4-13(12)9-14/h5-11H,2-4H2,1H3.
What are the key properties of 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one?
2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one has a molecular weight of 317.84 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-2-pyridinyl)sulfanyl]-1-(2,3-dihydro-1H-inden-5-yl)propan-1-one is sourced from PubChem (CID 112817769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).