ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate

C24H19NO6S — CID 5011589

IUPACethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C24H19NO6S/c1-2-31-22(26)13-15-7-9-16(10-8-15)25-32(29,30)17-11-12-20-21(14-17)24(28)19-6-4-3-5-18(19)23(20)27/h3-12,14,25H,2,13H2,1H3
InChIKeyUQDUENHRUIWQRV-UHFFFAOYSA-N
MW449.48 g/mol
LogP3.37
Rot. Bonds6

About ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate

ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate (PubChem CID 5011589) has the molecular formula C24H19NO6S and a molecular weight of 449.48 g/mol. Its IUPAC name is ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate
PubChem CID5011589
Molecular FormulaC24H19NO6S
Molecular Weight449.48 g/mol
Exact Mass449.09
IUPAC Nameethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate
SMILESCCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1
InChIInChI=1S/C24H19NO6S/c1-2-31-22(26)13-15-7-9-16(10-8-15)25-32(29,30)17-11-12-20-21(14-17)24(28)19-6-4-3-5-18(19)23(20)27/h3-12,14,25H,2,13H2,1H3
InChIKeyUQDUENHRUIWQRV-UHFFFAOYSA-N
XLogP3.37
TPSA106.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.48
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quinone_A(370)', 'substructure': 'N/A'}

Analyze ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]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

ethyl 2-[4-(benzenesulfonamido)phenyl]acetate
CID 23333624
ethyl 2-[4-[(4-bromophenyl)sulfonylamino]phenyl]acetate
CID 2416586
ethyl 2-[4-[(4-bromo-2-ethylphenyl)sulfonylamino]phenyl]acetate
CID 4984042
ethyl N-[[2-[4-[(3,4-dichlorophenyl)sulfonylamino]phenyl]acetyl]amino]carbamate
CID 43002856
ethyl 2-[3-[[4-(4-bromophenyl)phenyl]sulfonylamino]phenyl]acetate
CID 25095242
N-ethyl-9,10-dioxoanthracene-2-sulfonamide
CID 16832109
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]butanoate
CID 102487727
ethyl 2-[4-[[(1R)-1-iodoethyl]amino]phenyl]acetate
CID 142030495
ethyl 2-phenylacetate
CID 7590
ethyl 2-[4-(benzenesulfonamido)phenoxy]acetate
CID 23470984
2-[4-(naphthalen-2-ylsulfonylamino)phenyl]acetic acid
CID 2412067
(2-amino-2-oxoethyl) 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate
CID 7824604

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate?
The IUPAC name of ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate (CID 5011589) is ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate.
What is the SMILES notation for ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate?
The canonical SMILES for ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate is CCOC(=O)Cc1ccc(NS(=O)(=O)c2ccc3c(c2)C(=O)c2ccccc2C3=O)cc1.
What is the InChIKey of ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate?
The InChIKey is UQDUENHRUIWQRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19NO6S/c1-2-31-22(26)13-15-7-9-16(10-8-15)25-32(29,30)17-11-12-20-21(14-17)24(28)19-6-4-3-5-18(19)23(20)27/h3-12,14,25H,2,13H2,1H3.
What are the key properties of ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate?
ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate has a molecular weight of 449.48 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-[(9,10-dioxoanthracen-2-yl)sulfonylamino]phenyl]acetate is sourced from PubChem (CID 5011589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).