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

C24H21ClN2O4S — CID 16935809

IUPAC2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc32)c1
InChIInChI=1S/C24H21ClN2O4S/c1-31-19-6-4-5-17(13-19)14-26-24(28)16-27-15-23(21-7-2-3-8-22(21)27)32(29,30)20-11-9-18(25)10-12-20/h2-13,15H,14,16H2,1H3,(H,26,28)
InChIKeyPMGGKGDQEUWWBT-UHFFFAOYSA-N
MW468.96 g/mol
LogP4.45
Rot. Bonds7

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

2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (PubChem CID 16935809) has the molecular formula C24H21ClN2O4S and a molecular weight of 468.96 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
PubChem CID16935809
Molecular FormulaC24H21ClN2O4S
Molecular Weight468.96 g/mol
Exact Mass468.09
IUPAC Name2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
SMILESCOc1cccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc32)c1
InChIInChI=1S/C24H21ClN2O4S/c1-31-19-6-4-5-17(13-19)14-26-24(28)16-27-15-23(21-7-2-3-8-22(21)27)32(29,30)20-11-9-18(25)10-12-20/h2-13,15H,14,16H2,1H3,(H,26,28)
InChIKeyPMGGKGDQEUWWBT-UHFFFAOYSA-N
XLogP4.45
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.96
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(benzenesulfonyl)indol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide
CID 16935388
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764
N-benzyl-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935583
N-benzhydryl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 30554059
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 16935862
2-[3-(benzenesulfonyl)-4-oxoquinolin-1-yl]-N-(3-methoxyphenyl)acetamide
CID 20869323
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-morpholin-4-ylacetamide
CID 16935813
N-(5-chloro-2-methylphenyl)-2-[3-(4-methylphenyl)sulfonylindol-1-yl]acetamide
CID 16935677
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16935785
N-(3-chlorophenyl)-2-[3-(4-fluorophenyl)sulfonylindol-1-yl]acetamide
CID 16936042
2-(4-chlorophenyl)sulfanyl-N-[(3-methoxyphenyl)methyl]acetamide
CID 18074647
1-(azepan-1-yl)-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]ethanone
CID 16935724

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide (CID 16935809) is 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is COc1cccc(CNC(=O)Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c3ccccc32)c1.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
The InChIKey is PMGGKGDQEUWWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN2O4S/c1-31-19-6-4-5-17(13-19)14-26-24(28)16-27-15-23(21-7-2-3-8-22(21)27)32(29,30)20-11-9-18(25)10-12-20/h2-13,15H,14,16H2,1H3,(H,26,28).
What are the key properties of 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide?
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide has a molecular weight of 468.96 g/mol, XLogP of 4.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-[(3-methoxyphenyl)methyl]acetamide is sourced from PubChem (CID 16935809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).