1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole

C12H15ClFNO2S — CID 113249349

IUPAC1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
SMILESCC(CCl)CS(=O)(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H15ClFNO2S/c1-9(7-13)8-18(16,17)15-5-4-10-2-3-11(14)6-12(10)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyLWGLALDYSGOAPE-UHFFFAOYSA-N
MW291.77 g/mol
LogP2.39
Rot. Bonds4

About 1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole

1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole (PubChem CID 113249349) has the molecular formula C12H15ClFNO2S and a molecular weight of 291.77 g/mol. Its IUPAC name is 1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole.

Molecular Properties

Compound Name1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
PubChem CID113249349
Molecular FormulaC12H15ClFNO2S
Molecular Weight291.77 g/mol
Exact Mass291.05
IUPAC Name1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole
SMILESCC(CCl)CS(=O)(=O)N1CCc2ccc(F)cc21
InChIInChI=1S/C12H15ClFNO2S/c1-9(7-13)8-18(16,17)15-5-4-10-2-3-11(14)6-12(10)15/h2-3,6,9H,4-5,7-8H2,1H3
InChIKeyLWGLALDYSGOAPE-UHFFFAOYSA-N
XLogP2.39
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.77
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]ethanamine
CID 103495195
4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-propan-2-ylbutan-1-amine
CID 103504260
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504259
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]-N-methylpropan-1-amine
CID 103504239
2-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]butan-1-amine
CID 103495190
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
3-(3-chloro-2-methylpropyl)sulfonyl-1,2,4,5-tetrahydro-3-benzazepine
CID 79585443
[4-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenyl]methanamine
CID 103495192
1-[2-(chloromethyl)thiophen-3-yl]sulfonyl-6-fluoro-2,3-dihydroindole
CID 103504169
6-fluoro-1-(piperidin-2-ylmethylsulfonyl)-2,3-dihydroindole
CID 103498259
3-[(6-fluoro-2,3-dihydroindol-1-yl)sulfonyl]phenol
CID 103499722
3-chloro-N-(4-fluoro-2-iodophenyl)-2-methylpropane-1-sulfonamide
CID 79771397

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole?
The IUPAC name of 1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole (CID 113249349) is 1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole.
What is the SMILES notation for 1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole?
The canonical SMILES for 1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole is CC(CCl)CS(=O)(=O)N1CCc2ccc(F)cc21.
What is the InChIKey of 1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole?
The InChIKey is LWGLALDYSGOAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClFNO2S/c1-9(7-13)8-18(16,17)15-5-4-10-2-3-11(14)6-12(10)15/h2-3,6,9H,4-5,7-8H2,1H3.
What are the key properties of 1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole?
1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole has a molecular weight of 291.77 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylpropyl)sulfonyl-6-fluoro-2,3-dihydroindole is sourced from PubChem (CID 113249349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).