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

C21H21ClN2O4S — CID 16935785

IUPAC2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21)NCC1CCCO1
InChIInChI=1S/C21H21ClN2O4S/c22-15-7-9-17(10-8-15)29(26,27)20-13-24(19-6-2-1-5-18(19)20)14-21(25)23-12-16-4-3-11-28-16/h1-2,5-10,13,16H,3-4,11-12,14H2,(H,23,25)
InChIKeyIBFUIEVHALURLR-UHFFFAOYSA-N
MW432.93 g/mol
LogP3.42
Rot. Bonds6

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

2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 16935785) has the molecular formula C21H21ClN2O4S and a molecular weight of 432.93 g/mol. Its IUPAC name is 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID16935785
Molecular FormulaC21H21ClN2O4S
Molecular Weight432.93 g/mol
Exact Mass432.09
IUPAC Name2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21)NCC1CCCO1
InChIInChI=1S/C21H21ClN2O4S/c22-15-7-9-17(10-8-15)29(26,27)20-13-24(19-6-2-1-5-18(19)20)14-21(25)23-12-16-4-3-11-28-16/h1-2,5-10,13,16H,3-4,11-12,14H2,(H,23,25)
InChIKeyIBFUIEVHALURLR-UHFFFAOYSA-N
XLogP3.42
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.93
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(2-chlorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 18564611
2-[3-[(4-methylphenyl)methylsulfonyl]indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 26745583
2-[3-(cyclopropanecarbonyl)indol-1-yl]-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 963184
2-[1-[2-(azepan-1-yl)-2-oxoethyl]indol-3-yl]sulfonyl-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 40940130
N-(oxolan-2-ylmethyl)-2-[1-(2-oxo-2-piperidin-1-ylethyl)indol-3-yl]sulfonylacetamide
CID 18563513
2-[3-[(3-fluorophenyl)methylsulfonyl]indol-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 43958313
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-morpholin-4-ylacetamide
CID 16935813
2-(3-cyanoindol-1-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 2912319
N-[[(2S)-oxolan-2-yl]methyl]-2-[3-(2-oxo-2-pyrrolidin-1-ylacetyl)indol-1-yl]acetamide
CID 97465954
N-tert-butyl-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]acetamide
CID 16935764
1-(azepan-1-yl)-2-[3-(4-chlorophenyl)sulfonylindol-1-yl]ethanone
CID 16935724
2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46925423

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 16935785) is 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1cc(S(=O)(=O)c2ccc(Cl)cc2)c2ccccc21)NCC1CCCO1.
What is the InChIKey of 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is IBFUIEVHALURLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN2O4S/c22-15-7-9-17(10-8-15)29(26,27)20-13-24(19-6-2-1-5-18(19)20)14-21(25)23-12-16-4-3-11-28-16/h1-2,5-10,13,16H,3-4,11-12,14H2,(H,23,25).
What are the key properties of 2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[3-(4-chlorophenyl)sulfonylindol-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 432.93 g/mol, XLogP of 3.42, 6 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-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 16935785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).