ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate

C24H20FNO6S — CID 11271341

IUPACethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate
SMILESCCOC(=O)c1cc(OC(C)=O)c2c3cc(F)ccc3n(S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C24H20FNO6S/c1-4-31-24(28)16-11-21-23(22(12-16)32-15(3)27)19-13-17(25)7-10-20(19)26(21)33(29,30)18-8-5-14(2)6-9-18/h5-13H,4H2,1-3H3
InChIKeyBBVBFYDWFWWNCE-UHFFFAOYSA-N
MW469.49 g/mol
LogP4.58
Rot. Bonds5

About ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate

ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate (PubChem CID 11271341) has the molecular formula C24H20FNO6S and a molecular weight of 469.49 g/mol. Its IUPAC name is ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate
PubChem CID11271341
Molecular FormulaC24H20FNO6S
Molecular Weight469.49 g/mol
Exact Mass469.10
IUPAC Nameethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate
SMILESCCOC(=O)c1cc(OC(C)=O)c2c3cc(F)ccc3n(S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C24H20FNO6S/c1-4-31-24(28)16-11-21-23(22(12-16)32-15(3)27)19-13-17(25)7-10-20(19)26(21)33(29,30)18-8-5-14(2)6-9-18/h5-13H,4H2,1-3H3
InChIKeyBBVBFYDWFWWNCE-UHFFFAOYSA-N
XLogP4.58
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.49
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

Ethyl 5-[4-(diethylsulfamoyl)benzoyloxy]-2-methyl-1-phenyl-1H-indole-3-carboxylate
CID 4584672
(2,5-Dimethylphenyl) 10-methyl-1-(trifluoromethylsulfonyloxy)acridin-10-ium-9-carboxylate
CID 123150236
Ethyl 5-[4-(dipropylsulfamoyl)benzoyl]oxy-2-methyl-1-phenylbenzo[g]indole-3-carboxylate
CID 4451712
[1-(Benzenesulfonyl)-5-methoxyindol-2-yl]-(4-fluorophenyl)methanone
CID 10927700
[1-(Benzenesulfonyl)-5-methoxyindol-2-yl]-(2-fluorophenyl)methanone
CID 11080077
2-[5-Fluoro-2,4-dimethyl-1-(4-phenoxyphenyl)sulfonylindol-3-yl]acetic acid
CID 11155231
2-[5-Fluoro-2-methyl-1-[4-(3-methylphenoxy)phenyl]sulfonylindol-3-yl]acetic acid
CID 11259535
2-[5-Fluoro-2-methyl-1-(4-phenoxyphenyl)sulfonylindol-3-yl]acetic acid
CID 11316595
2-[5-Fluoro-2-methyl-1-(3-phenoxyphenyl)sulfonylindol-3-yl]acetic acid
CID 11408006
2-[5-Fluoro-2-methyl-1-[4-[3-(trifluoromethyl)phenoxy]phenyl]sulfonylindol-3-yl]acetic acid
CID 11477679
Methyl 2-[6-fluoro-5-methoxy-2-methyl-1-(4-methylphenyl)sulfonylindol-3-yl]acetate
CID 46216452
Methyl 2-[1-(benzenesulfonyl)-5-methoxy-2-methyl-6-(trifluoromethyl)indol-3-yl]acetate
CID 46216453

Frequently Asked Questions

What is the IUPAC name of ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate?
The IUPAC name of ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate (CID 11271341) is ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate.
What is the SMILES notation for ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate?
The canonical SMILES for ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate is CCOC(=O)c1cc(OC(C)=O)c2c3cc(F)ccc3n(S(=O)(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate?
The InChIKey is BBVBFYDWFWWNCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FNO6S/c1-4-31-24(28)16-11-21-23(22(12-16)32-15(3)27)19-13-17(25)7-10-20(19)26(21)33(29,30)18-8-5-14(2)6-9-18/h5-13H,4H2,1-3H3.
What are the key properties of ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate?
ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate has a molecular weight of 469.49 g/mol, XLogP of 4.58, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-acetyloxy-6-fluoro-9-(4-methylphenyl)sulfonylcarbazole-2-carboxylate is sourced from PubChem (CID 11271341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).