1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid

C19H20FNO4S — CID 66846059

IUPAC1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2c3ccc(F)cc3CC2C(=O)O)cc1
InChIInChI=1S/C19H20FNO4S/c1-19(2,3)13-4-7-15(8-5-13)26(24,25)21-16-9-6-14(20)10-12(16)11-17(21)18(22)23/h4-10,17H,11H2,1-3H3,(H,22,23)
InChIKeyGTQXOJCKPLRASB-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.33
Rot. Bonds3

About 1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid

1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid (PubChem CID 66846059) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid
PubChem CID66846059
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid
SMILESCC(C)(C)c1ccc(S(=O)(=O)N2c3ccc(F)cc3CC2C(=O)O)cc1
InChIInChI=1S/C19H20FNO4S/c1-19(2,3)13-4-7-15(8-5-13)26(24,25)21-16-9-6-14(20)10-12(16)11-17(21)18(22)23/h4-10,17H,11H2,1-3H3,(H,22,23)
InChIKeyGTQXOJCKPLRASB-UHFFFAOYSA-N
XLogP3.33
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid (CID 66846059) is 1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid is CC(C)(C)c1ccc(S(=O)(=O)N2c3ccc(F)cc3CC2C(=O)O)cc1.
What is the InChIKey of 1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is GTQXOJCKPLRASB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-19(2,3)13-4-7-15(8-5-13)26(24,25)21-16-9-6-14(20)10-12(16)11-17(21)18(22)23/h4-10,17H,11H2,1-3H3,(H,22,23).
What are the key properties of 1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid?
1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 377.44 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylphenyl)sulfonyl-5-fluoro-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 66846059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).