1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone

C20H15ClN2O5S2 — CID 110169736

IUPAC1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone
SMILESCOc1ccc2c(c1)c(OCC(=O)c1ccc(Cl)cc1)nn2S(=O)(=O)c1cccs1
InChIInChI=1S/C20H15ClN2O5S2/c1-27-15-8-9-17-16(11-15)20(22-23(17)30(25,26)19-3-2-10-29-19)28-12-18(24)13-4-6-14(21)7-5-13/h2-11H,12H2,1H3
InChIKeyZVGBLSITFSOQFC-UHFFFAOYSA-N
MW462.94 g/mol
LogP4.26
Rot. Bonds7

About 1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone

1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone (PubChem CID 110169736) has the molecular formula C20H15ClN2O5S2 and a molecular weight of 462.94 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone
PubChem CID110169736
Molecular FormulaC20H15ClN2O5S2
Molecular Weight462.94 g/mol
Exact Mass462.01
IUPAC Name1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone
SMILESCOc1ccc2c(c1)c(OCC(=O)c1ccc(Cl)cc1)nn2S(=O)(=O)c1cccs1
InChIInChI=1S/C20H15ClN2O5S2/c1-27-15-8-9-17-16(11-15)20(22-23(17)30(25,26)19-3-2-10-29-19)28-12-18(24)13-4-6-14(21)7-5-13/h2-11H,12H2,1H3
InChIKeyZVGBLSITFSOQFC-UHFFFAOYSA-N
XLogP4.26
TPSA87.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.94
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

1-(4-chlorophenyl)-2-(3-methoxyphenoxy)ethanone
CID 43412672
[1-(4-chlorobenzoyl)-5-methoxyindazol-3-yl]methanesulfinic acid
CID 123883844
1-(benzenesulfonyl)-N-(3-chloro-4-fluorophenyl)-5-methoxyindazol-3-amine
CID 69189190
1-(4-chlorophenyl)-2-(4-methylphenoxy)ethanone
CID 43413080
[1-(2,6-dichlorobenzoyl)-5-methoxyindazol-3-yl] 2,5-dichlorobenzenesulfonate
CID 110169701
2-(2,6-difluorophenoxy)-1-(4-methoxyphenyl)ethanone
CID 78908099
[2-(4-chlorophenyl)-2-oxoethyl] 2-(thiophen-2-ylsulfonylamino)benzoate
CID 2380169
methyl 3-[1-(4-chlorophenyl)sulfonyl-5-methoxyindol-3-yl]propanoate
CID 18450017
(4-chlorophenyl)-(3-ethyl-5-methoxy-2-methylindol-1-yl)methanone
CID 15320026
methyl 2-[1-(4-chlorophenyl)sulfonyl-3-(2-isocyanothiophen-3-yl)-2-thiophen-2-ylindol-5-yl]oxyacetate
CID 156685658
[2-(4-chlorophenyl)-2-oxoethyl] 4-(4-methoxyphenyl)-4-oxobutanoate
CID 2287702
2-(5-chloroindol-1-yl)-1-(4-methoxyphenyl)ethanone
CID 63878855

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone (CID 110169736) is 1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone is COc1ccc2c(c1)c(OCC(=O)c1ccc(Cl)cc1)nn2S(=O)(=O)c1cccs1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone?
The InChIKey is ZVGBLSITFSOQFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClN2O5S2/c1-27-15-8-9-17-16(11-15)20(22-23(17)30(25,26)19-3-2-10-29-19)28-12-18(24)13-4-6-14(21)7-5-13/h2-11H,12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone?
1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone has a molecular weight of 462.94 g/mol, XLogP of 4.26, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(5-methoxy-1-thiophen-2-ylsulfonylindazol-3-yl)oxyethanone is sourced from PubChem (CID 110169736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).