1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole

C20H23FN2O4S2 — CID 56587286

IUPAC1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(Cc1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C20H23FN2O4S2/c21-18-6-4-5-16(13-18)15-28(24,25)23-12-9-17-14-19(7-8-20(17)23)29(26,27)22-10-2-1-3-11-22/h4-8,13-14H,1-3,9-12,15H2
InChIKeyZJXVCZJTKGGVOO-UHFFFAOYSA-N
MW438.55 g/mol
LogP2.89
Rot. Bonds5

About 1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole

1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole (PubChem CID 56587286) has the molecular formula C20H23FN2O4S2 and a molecular weight of 438.55 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
PubChem CID56587286
Molecular FormulaC20H23FN2O4S2
Molecular Weight438.55 g/mol
Exact Mass438.11
IUPAC Name1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(Cc1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21
InChIInChI=1S/C20H23FN2O4S2/c21-18-6-4-5-16(13-18)15-28(24,25)23-12-9-17-14-19(7-8-20(17)23)29(26,27)22-10-2-1-3-11-22/h4-8,13-14H,1-3,9-12,15H2
InChIKeyZJXVCZJTKGGVOO-UHFFFAOYSA-N
XLogP2.89
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.55
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(3-fluorophenyl)methyl]pyrrolidin-1-yl]-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55838424
4-[(1-ethylsulfonyl-2,3-dihydroindol-5-yl)sulfonyl]morpholine
CID 19258973
2-(3-fluorophenoxy)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097851
3-[(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methyl]phenol
CID 75451922
2-(N-ethyl-3-fluoroanilino)-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 55868878
1-ethylsulfonyl-5-fluoro-2,3-dihydroindole
CID 110713992
1-(3-fluorophenyl)sulfonyl-N-methyl-2,3-dihydroindole-5-sulfonamide
CID 47784415
furan-2-yl-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)methanone
CID 17416161
2-(4-fluorophenyl)sulfanyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097857
N-methyl-1-[(3-nitrophenyl)methylsulfonyl]-2,3-dihydroindole-5-sulfonamide
CID 71908716
1-(3-pyrrolidin-1-ylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 43811959
1-acetyl-N-[(3-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonyl-2,3-dihydroindole-2-carboxamide
CID 20956504

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
The IUPAC name of 1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole (CID 56587286) is 1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole is O=S(=O)(Cc1cccc(F)c1)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21.
What is the InChIKey of 1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
The InChIKey is ZJXVCZJTKGGVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O4S2/c21-18-6-4-5-16(13-18)15-28(24,25)23-12-9-17-14-19(7-8-20(17)23)29(26,27)22-10-2-1-3-11-22/h4-8,13-14H,1-3,9-12,15H2.
What are the key properties of 1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole?
1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole has a molecular weight of 438.55 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methylsulfonyl]-5-piperidin-1-ylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 56587286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).