methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate

C23H24Cl2N2O4S — CID 69471701

IUPACmethyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H24Cl2N2O4S/c1-31-22(28)13-18-17-12-15(24)8-10-20(17)26-23(18)14-7-9-19(25)21(11-14)32(29,30)27-16-5-3-2-4-6-16/h7-12,16,26-27H,2-6,13H2,1H3
InChIKeyHSMZAROXGGCKOL-UHFFFAOYSA-N
MW495.43 g/mol
LogP5.47
Rot. Bonds6

About methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate

methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate (PubChem CID 69471701) has the molecular formula C23H24Cl2N2O4S and a molecular weight of 495.43 g/mol. Its IUPAC name is methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate
PubChem CID69471701
Molecular FormulaC23H24Cl2N2O4S
Molecular Weight495.43 g/mol
Exact Mass494.08
IUPAC Namemethyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate
SMILESCOC(=O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccc(Cl)cc12
InChIInChI=1S/C23H24Cl2N2O4S/c1-31-22(28)13-18-17-12-15(24)8-10-20(17)26-23(18)14-7-9-19(25)21(11-14)32(29,30)27-16-5-3-2-4-6-16/h7-12,16,26-27H,2-6,13H2,1H3
InChIKeyHSMZAROXGGCKOL-UHFFFAOYSA-N
XLogP5.47
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.43
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate with MolForge

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Related Compounds

2-[2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-5-methoxy-1H-indol-3-yl]-2-oxoacetic acid
CID 141152292
2-[2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]-2-oxoacetic acid
CID 174573531
2-[2-[4-chloro-3-(cyclooctylmethylsulfamoyl)phenyl]-1H-indol-3-yl]acetic acid;methane
CID 173172440
[2-[3-(cyclohexylsulfamoyl)-4-methylphenyl]-1H-indol-3-yl]methyl acetate
CID 150203480
methyl 2-(2,5-dichloro-1H-indol-3-yl)acetate
CID 70404350
methyl 4-chloro-3-(cyclopentylsulfamoyl)benzoate
CID 35294285
2-[2-[3-(2-bicyclo[2.2.1]heptanylsulfamoyl)-4-chlorophenyl]-1H-indol-3-yl]acetic acid
CID 11612292
potassium;acetic acid;2-chloro-5-(4-chloro-1,3-dihydroindol-3-id-2-yl)-N-cyclohexylbenzenesulfonamide
CID 158210629
2-chloro-N-cyclopentyl-5-(2-oxo-3H-1,3-thiazol-4-yl)benzenesulfonamide
CID 91809475
2,5-dichloro-N-[4-(methylamino)cyclohexyl]benzenesulfonamide
CID 79111068
5-chloro-N-cyclopentyl-3-(hydroxymethyl)-2-methylbenzenesulfonamide
CID 82891157
[2-[4-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]methyl acetate
CID 151813192

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate?
The IUPAC name of methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate (CID 69471701) is methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate?
The canonical SMILES for methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate is COC(=O)Cc1c(-c2ccc(Cl)c(S(=O)(=O)NC3CCCCC3)c2)[nH]c2ccc(Cl)cc12.
What is the InChIKey of methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate?
The InChIKey is HSMZAROXGGCKOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24Cl2N2O4S/c1-31-22(28)13-18-17-12-15(24)8-10-20(17)26-23(18)14-7-9-19(25)21(11-14)32(29,30)27-16-5-3-2-4-6-16/h7-12,16,26-27H,2-6,13H2,1H3.
What are the key properties of methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate?
methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate has a molecular weight of 495.43 g/mol, XLogP of 5.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-chloro-2-[4-chloro-3-(cyclohexylsulfamoyl)phenyl]-1H-indol-3-yl]acetate is sourced from PubChem (CID 69471701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).