1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone

C23H19ClN2O3S — CID 158537819

IUPAC1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)c1cccc(Cn2c(-c3ccccc3)cc3cc(Cl)ccc32)n1
InChIInChI=1S/C23H19ClN2O3S/c1-30(28,29)15-23(27)20-9-5-8-19(25-20)14-26-21-11-10-18(24)12-17(21)13-22(26)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3
InChIKeyHODSGIBPLBUHJJ-UHFFFAOYSA-N
MW438.94 g/mol
LogP4.63
Rot. Bonds6

About 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone

1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone (PubChem CID 158537819) has the molecular formula C23H19ClN2O3S and a molecular weight of 438.94 g/mol. Its IUPAC name is 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone.

Molecular Properties

Compound Name1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone
PubChem CID158537819
Molecular FormulaC23H19ClN2O3S
Molecular Weight438.94 g/mol
Exact Mass438.08
IUPAC Name1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone
SMILESCS(=O)(=O)CC(=O)c1cccc(Cn2c(-c3ccccc3)cc3cc(Cl)ccc32)n1
InChIInChI=1S/C23H19ClN2O3S/c1-30(28,29)15-23(27)20-9-5-8-19(25-20)14-26-21-11-10-18(24)12-17(21)13-22(26)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3
InChIKeyHODSGIBPLBUHJJ-UHFFFAOYSA-N
XLogP4.63
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.94
LogP ≤ 54.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone with MolForge

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Related Compounds

methyl 6-[[2-(3-chlorophenyl)-5-methoxyindol-1-yl]methyl]pyridine-2-carboxylate
CID 67684990
methyl 3-[(5-chloro-2-phenylindol-1-yl)methyl]benzoate
CID 67684782
1-(5-chloro-2-phenylindol-1-yl)ethanone
CID 14493114
5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 175952664
methyl 6-[[5-methoxy-2-(2-methylphenyl)indol-1-yl]methyl]pyridine-2-carboxylate
CID 67685173
1-[(3-chlorophenyl)methyl]indole-2-carboxylic acid
CID 22310877
1-[5-(5-chloro-3-pyridinyl)-1-[(2,5-dichlorophenyl)methyl]pyrrol-2-yl]-2-methylsulfonylethanone
CID 153271371
1-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]indole-2-carboxylic acid
CID 22394375
5-methoxy-2-phenyl-1-[[6-(4H-triazol-5-yl)-2-pyridinyl]methyl]indole
CID 162070992
3-[[2-phenyl-5-(trifluoromethoxy)indol-1-yl]methyl]benzoic acid
CID 67684519
1-benzyl-5-chloro-N-(diaminomethylidene)indole-2-carboxamide;hydrochloride
CID 22097790
2-(6-chloro-2-oxo-4-phenylquinazolin-1-yl)acetic acid
CID 45030979

Frequently Asked Questions

What is the IUPAC name of 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone?
The IUPAC name of 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone (CID 158537819) is 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone.
What is the SMILES notation for 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone?
The canonical SMILES for 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone is CS(=O)(=O)CC(=O)c1cccc(Cn2c(-c3ccccc3)cc3cc(Cl)ccc32)n1.
What is the InChIKey of 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone?
The InChIKey is HODSGIBPLBUHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClN2O3S/c1-30(28,29)15-23(27)20-9-5-8-19(25-20)14-26-21-11-10-18(24)12-17(21)13-22(26)16-6-3-2-4-7-16/h2-13H,14-15H2,1H3.
What are the key properties of 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone?
1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone has a molecular weight of 438.94 g/mol, XLogP of 4.63, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[(5-chloro-2-phenylindol-1-yl)methyl]-2-pyridinyl]-2-methylsulfonylethanone is sourced from PubChem (CID 158537819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).