N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide

C23H26N2O4S — CID 20945767

IUPACN-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1
InChIInChI=1S/C23H26N2O4S/c1-5-29-16-8-6-15(7-9-16)25-30(27,28)21-11-18-17(10-14(21)2)22-19(24-18)12-23(3,4)13-20(22)26/h6-11,24-25H,5,12-13H2,1-4H3
InChIKeyIJSOJHMIYDNEGZ-UHFFFAOYSA-N
MW426.54 g/mol
LogP4.83
Rot. Bonds5

About N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide

N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (PubChem CID 20945767) has the molecular formula C23H26N2O4S and a molecular weight of 426.54 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
PubChem CID20945767
Molecular FormulaC23H26N2O4S
Molecular Weight426.54 g/mol
Exact Mass426.16
IUPAC NameN-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
SMILESCCOc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1
InChIInChI=1S/C23H26N2O4S/c1-5-29-16-8-6-15(7-9-16)25-30(27,28)21-11-18-17(10-14(21)2)22-19(24-18)12-23(3,4)13-20(22)26/h6-11,24-25H,5,12-13H2,1-4H3
InChIKeyIJSOJHMIYDNEGZ-UHFFFAOYSA-N
XLogP4.83
TPSA88.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.54
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide 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 4-[(3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20945784
methyl 4-[(3-ethyl-7,7-dimethyl-5-oxo-8,9-dihydro-6H-carbazol-2-yl)sulfonylamino]benzoate
CID 20946084
N-[2-(furan-2-ylmethylsulfanyl)ethyl]-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945863
N,3,7,7-tetramethyl-N-(3-methylphenyl)-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide
CID 20945827
5-amino-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 3310244
5-tert-butyl-N-(4-ethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938594
N-(1,3-benzodioxol-5-yl)-3-methyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945958
N-(2,5-diethoxyphenyl)-3-ethyl-5-oxo-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20946203
N-(7,7-dimethyl-9-oxo-6,8-dihydrodibenzofuran-2-yl)-2,4,5-trimethylbenzenesulfonamide
CID 4064079
N-cyclopropyl-3-[(4-ethoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 4785355
N-[3-[(4-ethoxyphenyl)sulfamoyl]-4-methylphenyl]-2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxamide
CID 36865808
3-methyl-5-oxo-N-(2-phenylpropyl)-6,7,8,9-tetrahydrocarbazole-2-sulfonamide
CID 20945966

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The IUPAC name of N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide (CID 20945767) is N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is CCOc1ccc(NS(=O)(=O)c2cc3[nH]c4c(c3cc2C)C(=O)CC(C)(C)C4)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
The InChIKey is IJSOJHMIYDNEGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S/c1-5-29-16-8-6-15(7-9-16)25-30(27,28)21-11-18-17(10-14(21)2)22-19(24-18)12-23(3,4)13-20(22)26/h6-11,24-25H,5,12-13H2,1-4H3.
What are the key properties of N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide?
N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide has a molecular weight of 426.54 g/mol, XLogP of 4.83, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3,7,7-trimethyl-5-oxo-8,9-dihydro-6H-carbazole-2-sulfonamide is sourced from PubChem (CID 20945767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).