(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

C17H19FN2O3S — CID 36944261

IUPAC(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCOc1cccc(F)c1
InChIInChI=1S/C17H19FN2O3S/c1-12-9-13-10-16(24(19,21)22)5-6-17(13)20(12)7-8-23-15-4-2-3-14(18)11-15/h2-6,10-12H,7-9H2,1H3,(H2,19,21,22)/t12-/m1/s1
InChIKeyASUZQEQISTWJFV-GFCCVEGCSA-N
MW350.42 g/mol
LogP2.30
Rot. Bonds5

About (2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide

(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (PubChem CID 36944261) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is (2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
PubChem CID36944261
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
SMILESC[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCOc1cccc(F)c1
InChIInChI=1S/C17H19FN2O3S/c1-12-9-13-10-16(24(19,21)22)5-6-17(13)20(12)7-8-23-15-4-2-3-14(18)11-15/h2-6,10-12H,7-9H2,1H3,(H2,19,21,22)/t12-/m1/s1
InChIKeyASUZQEQISTWJFV-GFCCVEGCSA-N
XLogP2.30
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of (2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide (CID 36944261) is (2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for (2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for (2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1CCOc1cccc(F)c1.
What is the InChIKey of (2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
The InChIKey is ASUZQEQISTWJFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-12-9-13-10-16(24(19,21)22)5-6-17(13)20(12)7-8-23-15-4-2-3-14(18)11-15/h2-6,10-12H,7-9H2,1H3,(H2,19,21,22)/t12-/m1/s1.
What are the key properties of (2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide?
(2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide has a molecular weight of 350.42 g/mol, XLogP of 2.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(3-fluorophenoxy)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 36944261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).