N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide

C12H15FN2O3S — CID 68654542

IUPACN,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)C(F)C(=O)N2
InChIInChI=1S/C12H15FN2O3S/c1-3-15(4-2)19(17,18)8-5-6-10-9(7-8)11(13)12(16)14-10/h5-7,11H,3-4H2,1-2H3,(H,14,16)
InChIKeyRLYRXJBSTWGNDM-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.68
Rot. Bonds4

About N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide

N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide (PubChem CID 68654542) has the molecular formula C12H15FN2O3S and a molecular weight of 286.33 g/mol. Its IUPAC name is N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide
PubChem CID68654542
Molecular FormulaC12H15FN2O3S
Molecular Weight286.33 g/mol
Exact Mass286.08
IUPAC NameN,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide
SMILESCCN(CC)S(=O)(=O)c1ccc2c(c1)C(F)C(=O)N2
InChIInChI=1S/C12H15FN2O3S/c1-3-15(4-2)19(17,18)8-5-6-10-9(7-8)11(13)12(16)14-10/h5-7,11H,3-4H2,1-2H3,(H,14,16)
InChIKeyRLYRXJBSTWGNDM-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The IUPAC name of N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide (CID 68654542) is N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide is CCN(CC)S(=O)(=O)c1ccc2c(c1)C(F)C(=O)N2.
What is the InChIKey of N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide?
The InChIKey is RLYRXJBSTWGNDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O3S/c1-3-15(4-2)19(17,18)8-5-6-10-9(7-8)11(13)12(16)14-10/h5-7,11H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide?
N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide has a molecular weight of 286.33 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-fluoro-2-oxo-1,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 68654542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).