[2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate

C19H18FNO4S — CID 174444473

IUPAC[2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1c(S(=O)(=O)c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C19H18FNO4S/c1-19(2,3)18(22)25-16-14-6-4-5-7-15(14)21-17(16)26(23,24)13-10-8-12(20)9-11-13/h4-11,21H,1-3H3
InChIKeyLQXGVVAOPUECLJ-UHFFFAOYSA-N
MW375.42 g/mol
LogP4.09
Rot. Bonds3

About [2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate

[2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate (PubChem CID 174444473) has the molecular formula C19H18FNO4S and a molecular weight of 375.42 g/mol. Its IUPAC name is [2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate
PubChem CID174444473
Molecular FormulaC19H18FNO4S
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name[2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate
SMILESCC(C)(C)C(=O)Oc1c(S(=O)(=O)c2ccc(F)cc2)[nH]c2ccccc12
InChIInChI=1S/C19H18FNO4S/c1-19(2,3)18(22)25-16-14-6-4-5-7-15(14)21-17(16)26(23,24)13-10-8-12(20)9-11-13/h4-11,21H,1-3H3
InChIKeyLQXGVVAOPUECLJ-UHFFFAOYSA-N
XLogP4.09
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate?
The IUPAC name of [2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate (CID 174444473) is [2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate is CC(C)(C)C(=O)Oc1c(S(=O)(=O)c2ccc(F)cc2)[nH]c2ccccc12.
What is the InChIKey of [2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate?
The InChIKey is LQXGVVAOPUECLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4S/c1-19(2,3)18(22)25-16-14-6-4-5-7-15(14)21-17(16)26(23,24)13-10-8-12(20)9-11-13/h4-11,21H,1-3H3.
What are the key properties of [2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate?
[2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate has a molecular weight of 375.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-fluorophenyl)sulfonyl-1H-indol-3-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 174444473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).