3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide

C20H19FN2O3S — CID 59332691

IUPAC3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)cc2c(C3CCCS(=O)(=O)C3)c[nH]c12
InChIInChI=1S/C20H19FN2O3S/c21-15-5-3-12(4-6-15)14-8-16-18(13-2-1-7-27(25,26)11-13)10-23-19(16)17(9-14)20(22)24/h3-6,8-10,13,23H,1-2,7,11H2,(H2,22,24)
InChIKeyZEOUKAGJYBKRFO-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.37
Rot. Bonds3

About 3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide

3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide (PubChem CID 59332691) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide.

Molecular Properties

Compound Name3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide
PubChem CID59332691
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide
SMILESNC(=O)c1cc(-c2ccc(F)cc2)cc2c(C3CCCS(=O)(=O)C3)c[nH]c12
InChIInChI=1S/C20H19FN2O3S/c21-15-5-3-12(4-6-15)14-8-16-18(13-2-1-7-27(25,26)11-13)10-23-19(16)17(9-14)20(22)24/h3-6,8-10,13,23H,1-2,7,11H2,(H2,22,24)
InChIKeyZEOUKAGJYBKRFO-UHFFFAOYSA-N
XLogP3.37
TPSA93.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3S)-1,1-dioxothiolan-3-yl]-5-(4-fluoro-3-methylphenyl)-1H-indole-7-carboxamide
CID 66746755
3-[(4S)-1,1-dihydroxy-2,2-dimethylthian-4-yl]-5-(4-fluorophenyl)-1H-indole-7-carboxamide
CID 66745950
3-(1,1-dioxothian-4-yl)-5-(3,4,5-trifluorophenyl)-1H-indole-7-carboxamide
CID 66746457
5-(3-chloro-4-fluorophenyl)-3-(1,1-dioxothian-4-yl)-1H-indole-7-carboxamide
CID 66747080
3-(1,1-dihydroxythian-4-yl)-5-(3-fluorophenyl)-1H-indole-7-carboxamide
CID 66746181
5-[5-(azetidin-1-ylmethyl)thiophen-3-yl]-3-(1,1-dioxothiolan-3-yl)-1H-indole-7-carboxamide
CID 25072225
3-(1,1-dihydroxythian-4-yl)-5-(3,4,5-trifluorophenyl)-1H-indole-7-carboxamide
CID 66746456
3-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)-5-(furan-3-yl)-1H-indole-7-carboxamide
CID 66745646
3-(1,1-dioxothian-4-yl)-5-(1H-indazol-5-yl)-1H-indole-7-carboxamide
CID 59332704
5-(3,4-dichlorophenyl)-3-(1,1-dihydroxythian-4-yl)-1H-indole-7-carboxamide
CID 66746128
3-(1,1-dioxothian-4-yl)-5-[5-(hydroxymethyl)thiophen-3-yl]-1H-indole-7-carboxamide
CID 66746839
3-(1,1-dioxothian-4-yl)-5-thiophen-2-yl-1H-indole-7-carboxamide
CID 66746965

Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide?
The IUPAC name of 3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide (CID 59332691) is 3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide.
What is the SMILES notation for 3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide?
The canonical SMILES for 3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide is NC(=O)c1cc(-c2ccc(F)cc2)cc2c(C3CCCS(=O)(=O)C3)c[nH]c12.
What is the InChIKey of 3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide?
The InChIKey is ZEOUKAGJYBKRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c21-15-5-3-12(4-6-15)14-8-16-18(13-2-1-7-27(25,26)11-13)10-23-19(16)17(9-14)20(22)24/h3-6,8-10,13,23H,1-2,7,11H2,(H2,22,24).
What are the key properties of 3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide?
3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide has a molecular weight of 386.45 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxothian-3-yl)-5-(4-fluorophenyl)-1H-indole-7-carboxamide is sourced from PubChem (CID 59332691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).