1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone

C25H21FN2O3S — CID 30292449

IUPAC1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C25H21FN2O3S/c26-20-11-9-18(10-12-20)17-32(30,31)24-15-27(23-8-4-2-6-21(23)24)16-25(29)28-14-13-19-5-1-3-7-22(19)28/h1-12,15H,13-14,16-17H2
InChIKeyCCQBMJNCXFVVGC-UHFFFAOYSA-N
MW448.52 g/mol
LogP4.34
Rot. Bonds5

About 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone (PubChem CID 30292449) has the molecular formula C25H21FN2O3S and a molecular weight of 448.52 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
PubChem CID30292449
Molecular FormulaC25H21FN2O3S
Molecular Weight448.52 g/mol
Exact Mass448.13
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
SMILESO=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)N1CCc2ccccc21
InChIInChI=1S/C25H21FN2O3S/c26-20-11-9-18(10-12-20)17-32(30,31)24-15-27(23-8-4-2-6-21(23)24)16-25(29)28-14-13-19-5-1-3-7-22(19)28/h1-12,15H,13-14,16-17H2
InChIKeyCCQBMJNCXFVVGC-UHFFFAOYSA-N
XLogP4.34
TPSA59.38 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone
CID 20911285
2-[3-[(3-chlorophenyl)methylsulfonyl]indol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 20911218
2-[3-[(2-chloro-6-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 30292180
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 43958432
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
N-[(4-fluorophenyl)methyl]-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-methylacetamide
CID 70169296
1-(azepan-1-yl)-2-(3-benzylsulfonylindol-1-yl)ethanone
CID 20902787
1-piperidin-1-yl-2-[3-[[4-(trifluoromethyl)phenyl]methylsulfonyl]indol-1-yl]ethanone
CID 20902781
2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 30560690
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
1-(2,3-dihydroindol-1-yl)-2-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)indol-1-yl]ethanone
CID 42111237
N-(2,3-dichlorophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560764

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone (CID 30292449) is 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone is O=C(Cn1cc(S(=O)(=O)Cc2ccc(F)cc2)c2ccccc21)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone?
The InChIKey is CCQBMJNCXFVVGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN2O3S/c26-20-11-9-18(10-12-20)17-32(30,31)24-15-27(23-8-4-2-6-21(23)24)16-25(29)28-14-13-19-5-1-3-7-22(19)28/h1-12,15H,13-14,16-17H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone has a molecular weight of 448.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]ethanone is sourced from PubChem (CID 30292449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).