N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide

C13H13FN2O3S — CID 110852734

IUPACN-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H13FN2O3S/c14-9-2-1-8-5-12(16-11(8)6-9)13(17)15-10-3-4-20(18,19)7-10/h1-2,5-6,10,16H,3-4,7H2,(H,15,17)
InChIKeyAWZQKPHIYRXFOB-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.22
Rot. Bonds2

About N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide

N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide (PubChem CID 110852734) has the molecular formula C13H13FN2O3S and a molecular weight of 296.32 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide
PubChem CID110852734
Molecular FormulaC13H13FN2O3S
Molecular Weight296.32 g/mol
Exact Mass296.06
IUPAC NameN-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide
SMILESO=C(NC1CCS(=O)(=O)C1)c1cc2ccc(F)cc2[nH]1
InChIInChI=1S/C13H13FN2O3S/c14-9-2-1-8-5-12(16-11(8)6-9)13(17)15-10-3-4-20(18,19)7-10/h1-2,5-6,10,16H,3-4,7H2,(H,15,17)
InChIKeyAWZQKPHIYRXFOB-UHFFFAOYSA-N
XLogP1.22
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[(1,1-dioxothiolan-3-yl)amino]-2-oxoethyl]-7-fluoro-2-oxo-1H-quinoline-3-carboxamide
CID 110605998
N-[(3S)-1,1-dioxothian-3-yl]-5-fluoro-2-methylbenzamide
CID 96547544
N-(1,1-dioxothiolan-3-yl)-2-oxo-4-phenyl-1H-pyrimidine-6-carboxamide
CID 110332099
1-[(3R)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)urea
CID 7236834
N-cyclopropyl-7-fluoro-1-oxo-2H-isoquinoline-3-carboxamide
CID 172901032
N-(1,1-dioxothiolan-3-yl)-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 110692318
N-[(3S)-1,1-dioxothiolan-3-yl]-3-(4-fluorophenyl)thiophene-2-carboxamide
CID 94815316
N-(1,1-dioxothiolan-3-yl)-2-(3-fluorophenyl)acetamide
CID 51240347
N-cycloheptyl-6-methyl-1H-indole-2-carboxamide
CID 113207326
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(4-fluorophenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097820
N-cyclohexyl-6-(trifluoromethyl)-1H-indole-2-carboxamide
CID 171354096
N'-(1,1-dioxothiolan-3-yl)-N-[2-(4-fluorophenyl)ethyl]oxamide
CID 108526868

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide (CID 110852734) is N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide is O=C(NC1CCS(=O)(=O)C1)c1cc2ccc(F)cc2[nH]1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide?
The InChIKey is AWZQKPHIYRXFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O3S/c14-9-2-1-8-5-12(16-11(8)6-9)13(17)15-10-3-4-20(18,19)7-10/h1-2,5-6,10,16H,3-4,7H2,(H,15,17).
What are the key properties of N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide?
N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide has a molecular weight of 296.32 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-6-fluoro-1H-indole-2-carboxamide is sourced from PubChem (CID 110852734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).