ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate

C29H25FN2O4S — CID 166175359

IUPACethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate
SMILESCCOC(=O)c1cc2c(c(-c3ccc(F)cc3)c1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1n2C
InChIInChI=1S/C29H25FN2O4S/c1-4-36-29(33)23-17-25-27(22-7-5-6-8-24(22)32(25)3)26(19-11-13-20(30)14-12-19)28(23)31-37(34,35)21-15-9-18(2)10-16-21/h5-17,31H,4H2,1-3H3
InChIKeyJZLPFVGBTVYERK-UHFFFAOYSA-N
MW516.59 g/mol
LogP6.42
Rot. Bonds6

About ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate

ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate (PubChem CID 166175359) has the molecular formula C29H25FN2O4S and a molecular weight of 516.59 g/mol. Its IUPAC name is ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate
PubChem CID166175359
Molecular FormulaC29H25FN2O4S
Molecular Weight516.59 g/mol
Exact Mass516.15
IUPAC Nameethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate
SMILESCCOC(=O)c1cc2c(c(-c3ccc(F)cc3)c1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1n2C
InChIInChI=1S/C29H25FN2O4S/c1-4-36-29(33)23-17-25-27(22-7-5-6-8-24(22)32(25)3)26(19-11-13-20(30)14-12-19)28(23)31-37(34,35)21-15-9-18(2)10-16-21/h5-17,31H,4H2,1-3H3
InChIKeyJZLPFVGBTVYERK-UHFFFAOYSA-N
XLogP6.42
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500516.59
LogP ≤ 56.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate 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-methyl-1-[(4-methylphenyl)sulfonyl]-5-{[(4-methylphenyl)sulfonyl]amino}-1H-indole-3-carboxylate
CID 1137596
Ethyl 1-[(2,4-dimethylphenyl)sulfonyl]-5-{[(2,4-dimethylphenyl)sulfonyl]amino}-2-methylindole-3-carboxylate
CID 1183805
2-Methoxyethyl 2-methyl-1-(4-methylphenyl)sulfonyl-5-[(4-methylphenyl)sulfonylamino]indole-3-carboxylate
CID 2385301
propan-2-yl 2-methyl-1-[(4-methylphenyl)sulfonyl]-5-{[(4-methylphenyl)sulfonyl]amino}-1H-indole-3-carboxylate
CID 15991189
(Z)-methyl 1-(4-amino-2-fluorobut-2-en-1-yl)-3-(3-(N,N-dimethylsulfamoyl)phenyl)-2-methyl-1H-indole-6-carboxylate
CID 130340290
ethyl (Z)-3-(1-(4-amino-2-fluorobut-2-en-1-yl)-5-(N,N-dimethylsulfamoyl)-2-methyl-1H-indol-3-yl)benzoate
CID 130340811
(Z)-ethyl 1-(4-amino-2-fluorobut-2-en-1-yl)-3-(5-(N,N-dimethylsulfamoyl)-2-methylphenyl)-2-methyl-1H-indole-5-carboxylate
CID 130340922
2-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-benzoic acid
CID 44390216
3-[6-(4-Fluoro-benzenesulfonylamino)-1,2,3,4-tetrahydro-carbazol-9-yl]-benzoic acid
CID 44390224
ethyl 2-methyl-1-phenyl-5-[(phenylsulfonyl)amino]-1H-indole-3-carboxylate
CID 1050451
methyl 2-[[4-(dimethylamino)phenyl]methyl]-9-fluoro-6-(3-methylphenyl)sulfonyl-1-oxo-3H-pyrrolo[3,4-c]carbazole-5-carboxylate
CID 56588922
methyl 1-[(Z)-4-amino-2-fluorobut-2-enyl]-3-[[4-(dimethylsulfamoyl)phenyl]methyl]-2-methylindole-5-carboxylate
CID 130335893

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate?
The IUPAC name of ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate (CID 166175359) is ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate.
What is the SMILES notation for ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate?
The canonical SMILES for ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate is CCOC(=O)c1cc2c(c(-c3ccc(F)cc3)c1NS(=O)(=O)c1ccc(C)cc1)c1ccccc1n2C.
What is the InChIKey of ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate?
The InChIKey is JZLPFVGBTVYERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25FN2O4S/c1-4-36-29(33)23-17-25-27(22-7-5-6-8-24(22)32(25)3)26(19-11-13-20(30)14-12-19)28(23)31-37(34,35)21-15-9-18(2)10-16-21/h5-17,31H,4H2,1-3H3.
What are the key properties of ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate?
ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate has a molecular weight of 516.59 g/mol, XLogP of 6.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-fluorophenyl)-9-methyl-3-[(4-methylphenyl)sulfonylamino]carbazole-2-carboxylate is sourced from PubChem (CID 166175359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).