3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide

C20H20ClFN2O4S — CID 46276873

IUPAC3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)C(C)CC(=O)Nc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C20H20ClFN2O4S/c1-12(9-20(26)23-15-3-5-18(22)17(21)11-15)29(27,28)16-4-6-19-14(10-16)7-8-24(19)13(2)25/h3-6,10-12H,7-9H2,1-2H3,(H,23,26)
InChIKeyJAFUUCGWUWDFDT-UHFFFAOYSA-N
MW438.91 g/mol
LogP3.58
Rot. Bonds5

About 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide (PubChem CID 46276873) has the molecular formula C20H20ClFN2O4S and a molecular weight of 438.91 g/mol. Its IUPAC name is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide.

Molecular Properties

Compound Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide
PubChem CID46276873
Molecular FormulaC20H20ClFN2O4S
Molecular Weight438.91 g/mol
Exact Mass438.08
IUPAC Name3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)C(C)CC(=O)Nc3ccc(F)c(Cl)c3)ccc21
InChIInChI=1S/C20H20ClFN2O4S/c1-12(9-20(26)23-15-3-5-18(22)17(21)11-15)29(27,28)16-4-6-19-14(10-16)7-8-24(19)13(2)25/h3-6,10-12H,7-9H2,1-2H3,(H,23,26)
InChIKeyJAFUUCGWUWDFDT-UHFFFAOYSA-N
XLogP3.58
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.91
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-fluoro-4-methylphenyl)butanamide
CID 20914890
(3R)-N-(4-acetamidophenyl)-3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]butanamide
CID 92742849
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-chloro-2-methylphenyl)butanamide
CID 20914862
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(4-methoxyphenyl)butanamide
CID 20914857
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(2-chlorophenyl)butanamide
CID 46276882
(3S)-N-(2-chloro-4-fluorophenyl)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]butanamide
CID 92708715
(3S)-3-[[1-(cyclopropanecarbonyl)-2,3-dihydroindol-5-yl]sulfonyl]-N-(3,5-dimethylphenyl)butanamide
CID 92708697
2-[1-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]piperidin-4-yl]-N-(3-chloro-4-methylphenyl)acetamide
CID 53124723
(2S)-2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(4-chlorophenyl)-4-methylpentanamide
CID 92661618
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chlorophenyl)propanamide
CID 20853373
N-(3-chloro-4-fluorophenyl)-5-methyl-2,3-dihydroindole-1-carboxamide
CID 162489929
N-(3-chloro-4-fluorophenyl)-3-methylbutanamide
CID 849199

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide?
The IUPAC name of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide (CID 46276873) is 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide.
What is the SMILES notation for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide?
The canonical SMILES for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide is CC(=O)N1CCc2cc(S(=O)(=O)C(C)CC(=O)Nc3ccc(F)c(Cl)c3)ccc21.
What is the InChIKey of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide?
The InChIKey is JAFUUCGWUWDFDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClFN2O4S/c1-12(9-20(26)23-15-3-5-18(22)17(21)11-15)29(27,28)16-4-6-19-14(10-16)7-8-24(19)13(2)25/h3-6,10-12H,7-9H2,1-2H3,(H,23,26).
What are the key properties of 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide?
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide has a molecular weight of 438.91 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonyl]-N-(3-chloro-4-fluorophenyl)butanamide is sourced from PubChem (CID 46276873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).