dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate

C17H14FNO6S — CID 122217603

IUPACdimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c3cc(F)ccc3n(S(C)(=O)=O)c2cc1C(=O)OC
InChIInChI=1S/C17H14FNO6S/c1-24-16(20)12-7-11-10-6-9(18)4-5-14(10)19(26(3,22)23)15(11)8-13(12)17(21)25-2/h4-8H,1-3H3
InChIKeyVQXTWMGBEOJQAI-UHFFFAOYSA-N
MW379.37 g/mol
LogP2.31
Rot. Bonds3

About dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate

dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate (PubChem CID 122217603) has the molecular formula C17H14FNO6S and a molecular weight of 379.37 g/mol. Its IUPAC name is dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate
PubChem CID122217603
Molecular FormulaC17H14FNO6S
Molecular Weight379.37 g/mol
Exact Mass379.05
IUPAC Namedimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate
SMILESCOC(=O)c1cc2c3cc(F)ccc3n(S(C)(=O)=O)c2cc1C(=O)OC
InChIInChI=1S/C17H14FNO6S/c1-24-16(20)12-7-11-10-6-9(18)4-5-14(10)19(26(3,22)23)15(11)8-13(12)17(21)25-2/h4-8H,1-3H3
InChIKeyVQXTWMGBEOJQAI-UHFFFAOYSA-N
XLogP2.31
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 90030984
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CID 34176452
methyl 2-ethynyl-4-fluorobenzoate
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methyl 5-fluoro-1-(2-methylpropyl)indazole-3-carboxylate
CID 144672684
1-(5-fluoro-1-methylsulfonylindol-3-yl)propan-1-one
CID 134345481
(4-fluoro-2-methoxycarbonylphenoxy)boronic acid
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methyl 2-[(1S)-1-aminoethyl]-5-fluorobenzoate
CID 130699725
methyl 4-fluoro-2-(pyrrol-1-ylsulfamoyl)benzoate
CID 102919571
methyl 2-[cyclopropyl(methyl)sulfamoyl]-4-fluorobenzoate
CID 113230618
methyl 2-amino-6-fluoroquinoline-4-carboxylate
CID 84623443
methyl 2-chloro-6-fluoroquinoline-4-carboxylate
CID 50742482

Frequently Asked Questions

What is the IUPAC name of dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate?
The IUPAC name of dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate (CID 122217603) is dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate.
What is the SMILES notation for dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate?
The canonical SMILES for dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate is COC(=O)c1cc2c3cc(F)ccc3n(S(C)(=O)=O)c2cc1C(=O)OC.
What is the InChIKey of dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate?
The InChIKey is VQXTWMGBEOJQAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO6S/c1-24-16(20)12-7-11-10-6-9(18)4-5-14(10)19(26(3,22)23)15(11)8-13(12)17(21)25-2/h4-8H,1-3H3.
What are the key properties of dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate?
dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate has a molecular weight of 379.37 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6-fluoro-9-methylsulfonylcarbazole-2,3-dicarboxylate is sourced from PubChem (CID 122217603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).