N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide

C22H16ClFN2O3S — CID 16936042

IUPACN-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C22H16ClFN2O3S/c23-15-4-3-5-17(12-15)25-22(27)14-26-13-21(19-6-1-2-7-20(19)26)30(28,29)18-10-8-16(24)9-11-18/h1-13H,14H2,(H,25,27)
InChIKeySZLDRQFCFMUZPG-UHFFFAOYSA-N
MW442.90 g/mol
LogP4.91
Rot. Bonds5

About N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide

N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (PubChem CID 16936042) has the molecular formula C22H16ClFN2O3S and a molecular weight of 442.90 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
PubChem CID16936042
Molecular FormulaC22H16ClFN2O3S
Molecular Weight442.90 g/mol
Exact Mass442.06
IUPAC NameN-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)Nc1cccc(Cl)c1
InChIInChI=1S/C22H16ClFN2O3S/c23-15-4-3-5-17(12-15)25-22(27)14-26-13-21(19-6-1-2-7-20(19)26)30(28,29)18-10-8-16(24)9-11-18/h1-13H,14H2,(H,25,27)
InChIKeySZLDRQFCFMUZPG-UHFFFAOYSA-N
XLogP4.91
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.90
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chlorophenyl)-2-[6-fluoro-3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 20869314
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
N-(3-chloro-4-methylphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136964
N-(4-ethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936051
N-[(2-chlorophenyl)methyl]-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935990
N-tert-butyl-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16935963
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-chloro-4-fluorophenyl)acetamide
CID 2141324
2-[3-(benzenesulfonyl)-6-methyl-4-oxoquinolin-1-yl]-N-(3-chlorophenyl)acetamide
CID 2136336
N-(3,4-dimethylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935668
N-(3,4-dimethoxyphenyl)-2-[3-(4-fluorophenyl)sulfonyl-4-oxoquinolin-1-yl]acetamide
CID 2136959
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The IUPAC name of N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide (CID 16936042) is N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The canonical SMILES for N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is O=C(Cn1cc(S(=O)(=O)c2ccc(F)cc2)c2ccccc21)Nc1cccc(Cl)c1.
What is the InChIKey of N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
The InChIKey is SZLDRQFCFMUZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O3S/c23-15-4-3-5-17(12-15)25-22(27)14-26-13-21(19-6-1-2-7-20(19)26)30(28,29)18-10-8-16(24)9-11-18/h1-13H,14H2,(H,25,27).
What are the key properties of N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide?
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide has a molecular weight of 442.90 g/mol, XLogP of 4.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide is sourced from PubChem (CID 16936042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).