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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Related Compounds

(3R)-3-methyl-2-oxo-N,N-bis(prop-2-enyl)-1,3-dihydroindole-5-sulfonamide
CID 9186128
2-[ethyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 9187775
2-[ethyl-[[(3S)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]-N-(4-methoxyphenyl)acetamide
CID 9188307
N,N-diethyl-2-[methyl-[[(3R)-3-methyl-2-oxo-1,3-dihydroindol-5-yl]sulfonyl]amino]acetamide
CID 9188873
N-(3-aminopropyl)-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 115318993
(3R)-N-benzyl-N-(2-methoxyethyl)-3-methyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188424
N-benzyl-N-ethyl-2-methyl-3-oxo-4H-1,4-benzothiazine-6-sulfonamide
CID 22550188
N,N-diethyl-4-[(5S)-7-fluoro-5-(4-fluorophenyl)-2-oxo-3,5-dihydro-1H-1,4-benzodiazepine-4-carbonyl]benzenesulfonamide
CID 2160167
N-butyl-N-ethyl-3-methyl-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-sulfonamide
CID 20936037
(3S)-N,3-dimethyl-N-[(2-methylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9187654
(3R)-N-[(2-chlorophenyl)methyl]-N,3-dimethyl-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188492
(3S)-N,3-dimethyl-N-[(4-methylsulfanylphenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9188617

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).