(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one

C17H14FNOS — CID 7964667

IUPAC(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@H](Sc1ccccc1F)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14FNOS/c1-11(21-16-9-5-3-7-14(16)18)17(20)13-10-19-15-8-4-2-6-12(13)15/h2-11,19H,1H3/t11-/m0/s1
InChIKeyPONQYOBOKYGQQT-NSHDSACASA-N
MW299.37 g/mol
LogP4.67
Rot. Bonds4

About (2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one

(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one (PubChem CID 7964667) has the molecular formula C17H14FNOS and a molecular weight of 299.37 g/mol. Its IUPAC name is (2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one.

Molecular Properties

Compound Name(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one
PubChem CID7964667
Molecular FormulaC17H14FNOS
Molecular Weight299.37 g/mol
Exact Mass299.08
IUPAC Name(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one
SMILESC[C@H](Sc1ccccc1F)C(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H14FNOS/c1-11(21-16-9-5-3-7-14(16)18)17(20)13-10-19-15-8-4-2-6-12(13)15/h2-11,19H,1H3/t11-/m0/s1
InChIKeyPONQYOBOKYGQQT-NSHDSACASA-N
XLogP4.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)sulfanylacetate
CID 7676157
(2R)-2-[[4-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one
CID 40585837
(2S)-2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(1H-indol-3-yl)propan-1-one
CID 8010233
1-(1H-indol-3-yl)-2-[[4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 42888242
(2R)-1-(1H-indol-3-yl)-2-[[4-methyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 7814867
[(2S)-1-(1H-indol-3-yl)-1-oxopropan-2-yl] 2-(2-fluorophenyl)acetate
CID 8661248
2-[[5-[(4-fluorophenyl)methylamino]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(1H-indol-3-yl)propan-1-one
CID 46639790
1H-indol-3-yl-(2-methylsulfanylphenyl)methanone
CID 79214624
(2,3-difluorophenyl)-(1H-indol-3-yl)methanone
CID 62648503
2-[[5-[(2R)-1-(1H-indol-3-yl)-1-oxopropan-2-yl]sulfanyl-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 7883474
2-[5-(hydroxymethyl)-1-methylimidazol-2-yl]sulfanyl-1-(1H-indol-3-yl)propan-1-one
CID 111536944
(2S)-1-(1H-indol-3-yl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propan-1-one
CID 41176936

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one?
The IUPAC name of (2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one (CID 7964667) is (2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one.
What is the SMILES notation for (2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one?
The canonical SMILES for (2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one is C[C@H](Sc1ccccc1F)C(=O)c1c[nH]c2ccccc12.
What is the InChIKey of (2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one?
The InChIKey is PONQYOBOKYGQQT-NSHDSACASA-N. The full InChI is InChI=1S/C17H14FNOS/c1-11(21-16-9-5-3-7-14(16)18)17(20)13-10-19-15-8-4-2-6-12(13)15/h2-11,19H,1H3/t11-/m0/s1.
What are the key properties of (2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one?
(2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one has a molecular weight of 299.37 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2-fluorophenyl)sulfanyl-1-(1H-indol-3-yl)propan-1-one is sourced from PubChem (CID 7964667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).