ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate

C24H26N2O5S — CID 20945784

IUPACethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1
InChIInChI=1S/C24H26N2O5S/c1-5-31-23(28)15-6-8-16(9-7-15)26-32(29,30)21-11-18-17(10-14(21)2)22-19(25-18)12-24(3,4)13-20(22)27/h6-11,25-26H,5,12-13H2,1-4H3
InChIKeyPTUIDVZAZFSQIE-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.61
Rot. Bonds5

About ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate

ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate (PubChem CID 20945784) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Nameethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
PubChem CID20945784
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Nameethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
SMILESCCOC(=O)c1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1
InChIInChI=1S/C24H26N2O5S/c1-5-31-23(28)15-6-8-16(9-7-15)26-32(29,30)21-11-18-17(10-14(21)2)22-19(25-18)12-24(3,4)13-20(22)27/h6-11,25-26H,5,12-13H2,1-4H3
InChIKeyPTUIDVZAZFSQIE-UHFFFAOYSA-N
XLogP4.61
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.55
LogP ≤ 54.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate 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

N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945767
methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20946084
N-(2-chlorophenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945830
ethyl 4-[(5-methoxy-2,4-dimethylphenyl)sulfonylamino]benzoate
CID 2236611
7-(3,4-dihydro-1H-isoquinolin-2-ylsulfonyl)-2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 20945775
ethyl 4-[[4-(4,4-dimethyl-1,1,3-trioxo-1,2-thiazolidin-2-yl)-2-methylphenyl]sulfonylamino]benzoate
CID 21005380
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945863
ethyl 4-[(2,3-diaminophenyl)sulfonylamino]benzoate
CID 90419987
N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945827
ethyl 4-[(4,8-dimethyl-2-oxo-1H-quinolin-6-yl)sulfonylamino]benzoate
CID 18592806
ethyl 4-[[4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoyl]amino]benzoate
CID 3610783
ethyl 3,6,6-trimethyl-4-oxo-5,7-dihydro-1H-indole-2-carboxylate
CID 2517706

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate?
The IUPAC name of ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate (CID 20945784) is ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate.
What is the SMILES notation for ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate?
The canonical SMILES for ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate is CCOC(=O)c1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1.
What is the InChIKey of ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate?
The InChIKey is PTUIDVZAZFSQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-5-31-23(28)15-6-8-16(9-7-15)26-32(29,30)21-11-18-17(10-14(21)2)22-19(25-18)12-24(3,4)13-20(22)27/h6-11,25-26H,5,12-13H2,1-4H3.
What are the key properties of ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate?
ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate has a molecular weight of 454.55 g/mol, XLogP of 4.61, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate is sourced from PubChem (CID 20945784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).