N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide

C23H18F2N2O3S — CID 2157618

IUPACN-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C23H18F2N2O3S/c24-17-7-5-16(6-8-17)13-27-14-22(20-3-1-2-4-21(20)27)31(29,30)15-23(28)26-19-11-9-18(25)10-12-19/h1-12,14H,13,15H2,(H,26,28)
InChIKeyPWBUBJPANDPYJU-UHFFFAOYSA-N
MW440.47 g/mol
LogP4.38
Rot. Bonds6

About N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide

N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide (PubChem CID 2157618) has the molecular formula C23H18F2N2O3S and a molecular weight of 440.47 g/mol. Its IUPAC name is N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
PubChem CID2157618
Molecular FormulaC23H18F2N2O3S
Molecular Weight440.47 g/mol
Exact Mass440.10
IUPAC NameN-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
SMILESO=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc(F)cc1
InChIInChI=1S/C23H18F2N2O3S/c24-17-7-5-16(6-8-17)13-27-14-22(20-3-1-2-4-21(20)27)31(29,30)15-23(28)26-19-11-9-18(25)10-12-19/h1-12,14H,13,15H2,(H,26,28)
InChIKeyPWBUBJPANDPYJU-UHFFFAOYSA-N
XLogP4.38
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.47
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-fluorophenyl)-2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157632
ethyl 4-[[2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetyl]amino]benzoate
CID 2157604
2-[1-[(2-methylphenyl)methyl]indol-3-yl]sulfonyl-N-phenylacetamide
CID 2157629
N-(4-acetylphenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292492
N-(2,4-dimethylphenyl)-2-[1-[(3-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide
CID 2157610
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[(4-fluorophenyl)methyl]acetamide
CID 18563610
N-(4-acetamidophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936113
N-(1,3-benzodioxol-5-yl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560784
N-(4-ethylphenyl)-2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30292273
N-(3-bromophenyl)-2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetamide
CID 30560732
2-[3-[2-(4-bromoanilino)-2-oxoethyl]sulfonylindol-1-yl]-N,N-diethylacetamide
CID 18563369
butyl 4-[[2-[3-[(4-fluorophenyl)methylsulfonyl]indol-1-yl]acetyl]amino]benzoate
CID 30560754

Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide?
The IUPAC name of N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide (CID 2157618) is N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide.
What is the SMILES notation for N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide?
The canonical SMILES for N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide is O=C(CS(=O)(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12)Nc1ccc(F)cc1.
What is the InChIKey of N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide?
The InChIKey is PWBUBJPANDPYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18F2N2O3S/c24-17-7-5-16(6-8-17)13-27-14-22(20-3-1-2-4-21(20)27)31(29,30)15-23(28)26-19-11-9-18(25)10-12-19/h1-12,14H,13,15H2,(H,26,28).
What are the key properties of N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide?
N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide has a molecular weight of 440.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-2-[1-[(4-fluorophenyl)methyl]indol-3-yl]sulfonylacetamide is sourced from PubChem (CID 2157618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).