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

C24H26N2O5S — CID 20946084

IUPACmethyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccc(C(=O)OC)cc1)CC(C)(C)CC3=O
InChIInChI=1S/C24H26N2O5S/c1-5-14-10-17-18(25-19-12-24(2,3)13-20(27)22(17)19)11-21(14)32(29,30)26-16-8-6-15(7-9-16)23(28)31-4/h6-11,25-26H,5,12-13H2,1-4H3
InChIKeyZCDGATHBQBJRNX-UHFFFAOYSA-N
MW454.55 g/mol
LogP4.47
Rot. Bonds5

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

methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate (PubChem CID 20946084) has the molecular formula C24H26N2O5S and a molecular weight of 454.55 g/mol. Its IUPAC name is methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate.

Molecular Properties

Compound Namemethyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
PubChem CID20946084
Molecular FormulaC24H26N2O5S
Molecular Weight454.55 g/mol
Exact Mass454.16
IUPAC Namemethyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
SMILESCCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccc(C(=O)OC)cc1)CC(C)(C)CC3=O
InChIInChI=1S/C24H26N2O5S/c1-5-14-10-17-18(25-19-12-24(2,3)13-20(27)22(17)19)11-21(14)32(29,30)26-16-8-6-15(7-9-16)23(28)31-4/h6-11,25-26H,5,12-13H2,1-4H3
InChIKeyZCDGATHBQBJRNX-UHFFFAOYSA-N
XLogP4.47
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 ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

ethyl 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20945784
N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945767
3-ethyl-N-(furan-2-ylmethyl)-N,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20946091
methyl 4-[(4-ethylphenyl)sulfamoyl]benzoate
CID 26487109
N-cyclopropyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946163
N-benzyl-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946210
N-[3-(4-ethylpiperazin-1-yl)propyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945852
methyl 7,7-dimethyl-2,5-dioxo-6,8-dihydro-1H-quinoline-4-carboxylate
CID 17229006
methyl 2-ethyl-4-oxo-1H-quinoline-7-carboxylate
CID 126753254
N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946203
2,2,6-trimethyl-3,9-dihydro-1H-carbazol-4-one
CID 15577770
methyl 4-[(2,3-dioxo-1,4-dihydroquinoxalin-6-yl)sulfonylamino]benzoate
CID 15999609

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate?
The IUPAC name of methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate (CID 20946084) is methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate.
What is the SMILES notation for methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate?
The canonical SMILES for methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate is CCc1cc2c3c([nH]c2cc1S(=O)(=O)Nc1ccc(C(=O)OC)cc1)CC(C)(C)CC3=O.
What is the InChIKey of methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate?
The InChIKey is ZCDGATHBQBJRNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O5S/c1-5-14-10-17-18(25-19-12-24(2,3)13-20(27)22(17)19)11-21(14)32(29,30)26-16-8-6-15(7-9-16)23(28)31-4/h6-11,25-26H,5,12-13H2,1-4H3.
What are the key properties of methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate?
methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate has a molecular weight of 454.55 g/mol, XLogP of 4.47, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate is sourced from PubChem (CID 20946084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).