methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate

C18H16ClFN2O4S — CID 69397818

IUPACmethyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate
SMILESCOC(=O)Cn1c(C)c(NS(=O)(=O)c2ccc(F)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C18H16ClFN2O4S/c1-11-18(21-27(24,25)14-6-4-13(20)5-7-14)15-9-12(19)3-8-16(15)22(11)10-17(23)26-2/h3-9,21H,10H2,1-2H3
InChIKeyRZMOXBOCCLJCSS-UHFFFAOYSA-N
MW410.85 g/mol
LogP3.72
Rot. Bonds5

About methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate

methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate (PubChem CID 69397818) has the molecular formula C18H16ClFN2O4S and a molecular weight of 410.85 g/mol. Its IUPAC name is methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate
PubChem CID69397818
Molecular FormulaC18H16ClFN2O4S
Molecular Weight410.85 g/mol
Exact Mass410.05
IUPAC Namemethyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate
SMILESCOC(=O)Cn1c(C)c(NS(=O)(=O)c2ccc(F)cc2)c2cc(Cl)ccc21
InChIInChI=1S/C18H16ClFN2O4S/c1-11-18(21-27(24,25)14-6-4-13(20)5-7-14)15-9-12(19)3-8-16(15)22(11)10-17(23)26-2/h3-9,21H,10H2,1-2H3
InChIKeyRZMOXBOCCLJCSS-UHFFFAOYSA-N
XLogP3.72
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.85
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]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 2-[3-[[2-(benzenesulfonyl)-4-chlorophenyl]methyl]-5-fluoro-2-methylindol-1-yl]acetate
CID 67043779
methyl 2-[5-chloro-3-(6-chloropyridazin-3-yl)-2-methylindol-1-yl]acetate
CID 87287595
methyl 2-[6-[(4-chloro-2-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051904
methyl 2-[6-[(2,5-difluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051796
methyl 2-[6-[(4-fluorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051829
methyl 3-[5-chloro-1-(4-fluorophenyl)sulfonylindol-2-yl]propanoate
CID 68675545
methyl 2-[6-[(3-chlorophenyl)sulfamoyl]-2-oxo-1,3-benzoxazol-3-yl]acetate
CID 53051808
methyl 2-[6-fluoro-2-[3-[(4-fluorophenyl)sulfonylamino]benzoyl]imino-1,3-benzothiazol-3-yl]acetate
CID 121042127
methyl 2-[2-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]imino-6-methylsulfonyl-1,3-benzothiazol-3-yl]acetate
CID 121044555
ethyl 2-[4-[(4-fluorophenyl)sulfonylamino]benzoyl]imino-3-(2-methoxy-2-oxoethyl)-1,3-benzothiazole-6-carboxylate
CID 121044545
methyl 2-[5-fluoro-3-[[1-[(4-fluorophenyl)methyl]-6-oxo-3-pyridinyl]methyl]-2-methylindol-1-yl]acetate
CID 67150812
methyl 2-[3-[4-[ethylsulfonyl(methyl)amino]cyclohexyl]-5-fluoro-2-methylindol-1-yl]acetate
CID 130440196

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate?
The IUPAC name of methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate (CID 69397818) is methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate?
The canonical SMILES for methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate is COC(=O)Cn1c(C)c(NS(=O)(=O)c2ccc(F)cc2)c2cc(Cl)ccc21.
What is the InChIKey of methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate?
The InChIKey is RZMOXBOCCLJCSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClFN2O4S/c1-11-18(21-27(24,25)14-6-4-13(20)5-7-14)15-9-12(19)3-8-16(15)22(11)10-17(23)26-2/h3-9,21H,10H2,1-2H3.
What are the key properties of methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate?
methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate has a molecular weight of 410.85 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-3-[(4-fluorophenyl)sulfonylamino]-2-methylindol-1-yl]acetate is sourced from PubChem (CID 69397818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).