2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate

C18H16Cl2N2O4S — CID 152669052

IUPAC2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate
SMILESCC(=O)OCCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O4S/c1-12(23)26-7-6-22(16-2-3-18-13(8-16)4-5-21-18)27(24,25)17-10-14(19)9-15(20)11-17/h2-5,8-11,21H,6-7H2,1H3
InChIKeyZLDBJDSORYAQHI-UHFFFAOYSA-N
MW427.31 g/mol
LogP4.23
Rot. Bonds6

About 2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate

2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate (PubChem CID 152669052) has the molecular formula C18H16Cl2N2O4S and a molecular weight of 427.31 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate
PubChem CID152669052
Molecular FormulaC18H16Cl2N2O4S
Molecular Weight427.31 g/mol
Exact Mass426.02
IUPAC Name2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate
SMILESCC(=O)OCCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C18H16Cl2N2O4S/c1-12(23)26-7-6-22(16-2-3-18-13(8-16)4-5-21-18)27(24,25)17-10-14(19)9-15(20)11-17/h2-5,8-11,21H,6-7H2,1H3
InChIKeyZLDBJDSORYAQHI-UHFFFAOYSA-N
XLogP4.23
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.31
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]methyl-ethoxyphosphinic acid
CID 88588690
3,5-dichloro-N-diethoxyphosphanyl-N-(1H-indol-5-yl)benzenesulfonamide
CID 143753339
[6-(acetyloxymethyl)-1H-indol-5-yl]methyl acetate
CID 57245491
butyl 2-[(7-cyanonaphthalen-2-yl)-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 91477631
2-acetyloxyethyl(trimethyl)azanium;1H-indole
CID 174311440
[[1-(2-chloroacetyl)indol-5-yl]-(3,5-dichlorophenyl)sulfonylamino]methylphosphonic acid
CID 87469905
tert-butyl 2-[(5-cyanonaphthalen-2-yl)-(3,5-dichlorophenyl)sulfonylamino]acetate
CID 58496937
N,N-dimethyl-1H-indol-5-amine
CID 23274
(3-chlorophenyl)sulfonylmethyl acetate
CID 151338896
N-ethyl-N-(1H-indol-5-yl)-1-(1,2-oxazol-3-yl)methanesulfonamide
CID 119045405
2-(N-amino-4-fluoroanilino)ethyl acetate
CID 174542148
butyl 2-[(3,5-dichlorophenyl)sulfonyl-[5-[(Z)-N'-hydroxycarbamimidoyl]naphthalen-2-yl]amino]acetate
CID 140570306

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate?
The IUPAC name of 2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate (CID 152669052) is 2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate?
The canonical SMILES for 2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate is CC(=O)OCCN(c1ccc2[nH]ccc2c1)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate?
The InChIKey is ZLDBJDSORYAQHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16Cl2N2O4S/c1-12(23)26-7-6-22(16-2-3-18-13(8-16)4-5-21-18)27(24,25)17-10-14(19)9-15(20)11-17/h2-5,8-11,21H,6-7H2,1H3.
What are the key properties of 2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate?
2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate has a molecular weight of 427.31 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)sulfonyl-(1H-indol-5-yl)amino]ethyl acetate is sourced from PubChem (CID 152669052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).