ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate

C24H23NO6S — CID 10275888

IUPACethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate
SMILESCCOC(=O)c1ccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1
InChIInChI=1S/C24H23NO6S/c1-4-30-24(26)16-10-8-15(9-11-16)23-19-14-17(25-32(3,27)28)12-13-18(19)22-20(29-2)6-5-7-21(22)31-23/h5-14,23,25H,4H2,1-3H3
InChIKeyQTRFZRZEXMHRFW-UHFFFAOYSA-N
MW453.52 g/mol
LogP4.39
Rot. Bonds6

About ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate

ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate (PubChem CID 10275888) has the molecular formula C24H23NO6S and a molecular weight of 453.52 g/mol. Its IUPAC name is ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate.

Molecular Properties

Compound Nameethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate
PubChem CID10275888
Molecular FormulaC24H23NO6S
Molecular Weight453.52 g/mol
Exact Mass453.12
IUPAC Nameethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate
SMILESCCOC(=O)c1ccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1
InChIInChI=1S/C24H23NO6S/c1-4-30-24(26)16-10-8-15(9-11-16)23-19-14-17(25-32(3,27)28)12-13-18(19)22-20(29-2)6-5-7-21(22)31-23/h5-14,23,25H,4H2,1-3H3
InChIKeyQTRFZRZEXMHRFW-UHFFFAOYSA-N
XLogP4.39
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate?
The IUPAC name of ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate (CID 10275888) is ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate.
What is the SMILES notation for ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate?
The canonical SMILES for ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate is CCOC(=O)c1ccc(C2Oc3cccc(OC)c3-c3ccc(NS(C)(=O)=O)cc32)cc1.
What is the InChIKey of ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate?
The InChIKey is QTRFZRZEXMHRFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23NO6S/c1-4-30-24(26)16-10-8-15(9-11-16)23-19-14-17(25-32(3,27)28)12-13-18(19)22-20(29-2)6-5-7-21(22)31-23/h5-14,23,25H,4H2,1-3H3.
What are the key properties of ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate?
ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate has a molecular weight of 453.52 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[8-(methanesulfonamido)-1-methoxy-6H-benzo[c]chromen-6-yl]benzoate is sourced from PubChem (CID 10275888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).