1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide

C15H19FN2O4S — CID 167752448

IUPAC1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC(F)(CO)C1)CC2
InChIInChI=1S/C15H19FN2O4S/c1-17-23(21,22)12-3-2-10-4-5-18(13(10)6-12)14(20)11-7-15(16,8-11)9-19/h2-3,6,11,17,19H,4-5,7-9H2,1H3
InChIKeyMAYIDZRPMSNCQN-UHFFFAOYSA-N
MW342.39 g/mol
LogP0.59
Rot. Bonds4

About 1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide

1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide (PubChem CID 167752448) has the molecular formula C15H19FN2O4S and a molecular weight of 342.39 g/mol. Its IUPAC name is 1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
PubChem CID167752448
Molecular FormulaC15H19FN2O4S
Molecular Weight342.39 g/mol
Exact Mass342.10
IUPAC Name1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
SMILESCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC(F)(CO)C1)CC2
InChIInChI=1S/C15H19FN2O4S/c1-17-23(21,22)12-3-2-10-4-5-18(13(10)6-12)14(20)11-7-15(16,8-11)9-19/h2-3,6,11,17,19H,4-5,7-9H2,1H3
InChIKeyMAYIDZRPMSNCQN-UHFFFAOYSA-N
XLogP0.59
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.39
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[6-(methylsulfamoyl)-2,3-dihydroindole-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120673855
1-[(1S,3S)-3-aminocyclopentanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 124689464
1-(3-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119802266
N-methyl-1-[(2S,4S)-2-methylpiperidine-4-carbonyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 120635833
1-(1-aminocyclopentanecarbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 119334261
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262
1-(cyclopropanecarbonyl)-2,3-dihydroindole-6-sulfonyl chloride
CID 54594046
N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119939803
1-(4-acetyl-3-ethyl-5-methyl-1H-pyrrole-2-carbonyl)-N-methyl-2,3-dihydroindole-6-sulfonamide
CID 71873940
1-(cyclooctanecarbonyl)-2,3-dihydroindole-6-sulfonamide
CID 75422244
1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide
CID 82725077
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-7-yl]-4-(2-hydroxyethylamino)benzenesulfonamide
CID 154934391

Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide (CID 167752448) is 1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide is CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C1CC(F)(CO)C1)CC2.
What is the InChIKey of 1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is MAYIDZRPMSNCQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O4S/c1-17-23(21,22)12-3-2-10-4-5-18(13(10)6-12)14(20)11-7-15(16,8-11)9-19/h2-3,6,11,17,19H,4-5,7-9H2,1H3.
What are the key properties of 1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide?
1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 342.39 g/mol, XLogP of 0.59, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-3-(hydroxymethyl)cyclobutanecarbonyl]-N-methyl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 167752448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).