N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide

C22H18N2O3S — CID 44586804

IUPACN-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O3S/c1-15(25)24-28(26,27)18-13-11-17(12-14-18)22-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)23-22/h2-14,23H,1H3,(H,24,25)
InChIKeyQJXSTPCPFJGXDQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP4.33
Rot. Bonds4

About N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide

N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide (PubChem CID 44586804) has the molecular formula C22H18N2O3S and a molecular weight of 390.46 g/mol. Its IUPAC name is N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide.

Molecular Properties

Compound NameN-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide
PubChem CID44586804
Molecular FormulaC22H18N2O3S
Molecular Weight390.46 g/mol
Exact Mass390.10
IUPAC NameN-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide
SMILESCC(=O)NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1
InChIInChI=1S/C22H18N2O3S/c1-15(25)24-28(26,27)18-13-11-17(12-14-18)22-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)23-22/h2-14,23H,1H3,(H,24,25)
InChIKeyQJXSTPCPFJGXDQ-UHFFFAOYSA-N
XLogP4.33
TPSA79.03 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide?
The IUPAC name of N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide (CID 44586804) is N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide.
What is the SMILES notation for N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide?
The canonical SMILES for N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide is CC(=O)NS(=O)(=O)c1ccc(-c2[nH]c3ccccc3c2-c2ccccc2)cc1.
What is the InChIKey of N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide?
The InChIKey is QJXSTPCPFJGXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3S/c1-15(25)24-28(26,27)18-13-11-17(12-14-18)22-21(16-7-3-2-4-8-16)19-9-5-6-10-20(19)23-22/h2-14,23H,1H3,(H,24,25).
What are the key properties of N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide?
N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide has a molecular weight of 390.46 g/mol, XLogP of 4.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-phenyl-1H-indol-2-yl)phenyl]sulfonylacetamide is sourced from PubChem (CID 44586804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).