(1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone

C14H14FNO3S — CID 104518074

IUPAC(1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2cc(F)ccc12)C1CCCCS1(=O)=O
InChIInChI=1S/C14H14FNO3S/c15-9-4-5-10-11(8-16-12(10)7-9)14(17)13-3-1-2-6-20(13,18)19/h4-5,7-8,13,16H,1-3,6H2
InChIKeyDGLHZYUFGOWAAG-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.46
Rot. Bonds2

About (1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone

(1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone (PubChem CID 104518074) has the molecular formula C14H14FNO3S and a molecular weight of 295.33 g/mol. Its IUPAC name is (1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
PubChem CID104518074
Molecular FormulaC14H14FNO3S
Molecular Weight295.33 g/mol
Exact Mass295.07
IUPAC Name(1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone
SMILESO=C(c1c[nH]c2cc(F)ccc12)C1CCCCS1(=O)=O
InChIInChI=1S/C14H14FNO3S/c15-9-4-5-10-11(8-16-12(10)7-9)14(17)13-3-1-2-6-20(13,18)19/h4-5,7-8,13,16H,1-3,6H2
InChIKeyDGLHZYUFGOWAAG-UHFFFAOYSA-N
XLogP2.46
TPSA67.00 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,1-dioxothian-2-yl)-(6-methyl-1H-indol-3-yl)methanone
CID 104518071
3-(1,1-dioxothiane-2-carbonyl)-1H-indole-5-carbonitrile
CID 107919756
(6-fluoro-1H-indol-3-yl)-pyrrolidin-3-ylmethanone
CID 84695539
(1,1-dioxothian-2-yl)-(4-methyl-1H-indol-3-yl)methanone
CID 104518069
(2,2-dimethylcyclopentyl)-(6-fluoro-1H-indol-3-yl)methanone
CID 107176420
(2S)-2-(6-fluoro-1H-indole-3-carbonyl)pyrrolidine-1-carboxylic acid
CID 138596030
(5-bromo-1H-pyrrolo[2,3-b]pyridin-3-yl)-(1,1-dioxothian-2-yl)methanone
CID 106884916
6-fluoro-N-[(3R)-oxolan-3-yl]-1H-indole-3-carboxamide
CID 99825619
(6-fluoro-1H-indol-3-yl)-(4-hydroxypyrrolidin-2-yl)methanone
CID 66809624
6-fluoro-1H-indole-3-carbohydrazide
CID 129321028
N-(1,1-dioxothiolan-3-yl)-2-(6-fluoro-1H-indol-3-yl)-N-methyl-2-oxoacetamide
CID 113208590
N-(cyclohexylmethyl)-2-(6-fluoro-1H-indol-3-yl)-2-oxoacetamide
CID 68518870

Frequently Asked Questions

What is the IUPAC name of (1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone?
The IUPAC name of (1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone (CID 104518074) is (1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone.
What is the SMILES notation for (1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone?
The canonical SMILES for (1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone is O=C(c1c[nH]c2cc(F)ccc12)C1CCCCS1(=O)=O.
What is the InChIKey of (1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone?
The InChIKey is DGLHZYUFGOWAAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3S/c15-9-4-5-10-11(8-16-12(10)7-9)14(17)13-3-1-2-6-20(13,18)19/h4-5,7-8,13,16H,1-3,6H2.
What are the key properties of (1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone?
(1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone has a molecular weight of 295.33 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,1-dioxothian-2-yl)-(6-fluoro-1H-indol-3-yl)methanone is sourced from PubChem (CID 104518074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).