methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate

C18H16ClNO5S — CID 68676184

IUPACmethyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate
SMILESCOC(=O)COCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H16ClNO5S/c1-24-18(21)12-25-11-15-10-13-9-14(19)7-8-17(13)20(15)26(22,23)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3
InChIKeyDJAKJQMHDRFHQW-UHFFFAOYSA-N
MW393.85 g/mol
LogP3.22
Rot. Bonds6

About methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate

methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate (PubChem CID 68676184) has the molecular formula C18H16ClNO5S and a molecular weight of 393.85 g/mol. Its IUPAC name is methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate.

Molecular Properties

Compound Namemethyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate
PubChem CID68676184
Molecular FormulaC18H16ClNO5S
Molecular Weight393.85 g/mol
Exact Mass393.04
IUPAC Namemethyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate
SMILESCOC(=O)COCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C18H16ClNO5S/c1-24-18(21)12-25-11-15-10-13-9-14(19)7-8-17(13)20(15)26(22,23)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3
InChIKeyDJAKJQMHDRFHQW-UHFFFAOYSA-N
XLogP3.22
TPSA74.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.85
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate 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

methyl 3-[5-chloro-1-(4-fluorophenyl)sulfonylindol-2-yl]propanoate
CID 68675545
[1-(benzenesulfonyl)-5-chloroindol-2-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 56646601
3-[5-chloro-1-(3-methylphenyl)sulfonylindol-2-yl]propanoic acid
CID 68675467
methyl 4-[5-chloro-1-(1,2,3,4-tetrahydroisoquinolin-7-ylsulfonyl)indol-2-yl]butanoate
CID 68677049
methyl 4-[1-(1-acetylindol-5-yl)sulfonyl-5-chloroindol-2-yl]butanoate
CID 68675957
methyl 3-[1-(benzenesulfonyl)-5-[4-(trifluoromethyl)phenyl]indol-2-yl]propanoate
CID 68677015
1-(benzenesulfonyl)-2-ethyl-5-methylsulfonylindole
CID 139760319
1-(benzenesulfonyl)-5-chloro-2-thiophen-2-ylindole
CID 174370834
4-[5-chloro-1-(3-propan-2-ylphenyl)sulfonylindol-2-yl]butanoic acid
CID 44600159
3-[1-(benzenesulfonyl)-5-methylindol-2-yl]propanoic acid
CID 68677465
ethyl 3-amino-4-[[1-(benzenesulfonyl)-5-chloroindole-2-carbonyl]amino]benzoate
CID 139995122
2-[[1-(benzenesulfonyl)-5-chloropyrrolo[3,2-b]pyridin-2-yl]methoxy]-2-methylpropanoic acid
CID 87537964

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate?
The IUPAC name of methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate (CID 68676184) is methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate.
What is the SMILES notation for methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate?
The canonical SMILES for methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate is COC(=O)COCc1cc2cc(Cl)ccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate?
The InChIKey is DJAKJQMHDRFHQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClNO5S/c1-24-18(21)12-25-11-15-10-13-9-14(19)7-8-17(13)20(15)26(22,23)16-5-3-2-4-6-16/h2-10H,11-12H2,1H3.
What are the key properties of methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate?
methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate has a molecular weight of 393.85 g/mol, XLogP of 3.22, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[1-(benzenesulfonyl)-5-chloroindol-2-yl]methoxy]acetate is sourced from PubChem (CID 68676184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).