1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide

C19H16FN3O4S2 — CID 15951112

IUPAC1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(COc1ccc(F)cc1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H16FN3O4S2/c20-14-1-3-15(4-2-14)27-12-18(24)23-9-7-13-11-16(5-6-17(13)23)29(25,26)22-19-21-8-10-28-19/h1-6,8,10-11H,7,9,12H2,(H,21,22)
InChIKeyRUKONYYKYUXWLZ-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.05
Rot. Bonds6

About 1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide

1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 15951112) has the molecular formula C19H16FN3O4S2 and a molecular weight of 433.49 g/mol. Its IUPAC name is 1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
PubChem CID15951112
Molecular FormulaC19H16FN3O4S2
Molecular Weight433.49 g/mol
Exact Mass433.06
IUPAC Name1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide
SMILESO=C(COc1ccc(F)cc1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C19H16FN3O4S2/c20-14-1-3-15(4-2-14)27-12-18(24)23-9-7-13-11-16(5-6-17(13)23)29(25,26)22-19-21-8-10-28-19/h1-6,8,10-11H,7,9,12H2,(H,21,22)
InChIKeyRUKONYYKYUXWLZ-UHFFFAOYSA-N
XLogP3.05
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide (CID 15951112) is 1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide is O=C(COc1ccc(F)cc1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21.
What is the InChIKey of 1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RUKONYYKYUXWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O4S2/c20-14-1-3-15(4-2-14)27-12-18(24)23-9-7-13-11-16(5-6-17(13)23)29(25,26)22-19-21-8-10-28-19/h1-6,8,10-11H,7,9,12H2,(H,21,22).
What are the key properties of 1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide?
1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 433.49 g/mol, XLogP of 3.05, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-fluorophenoxy)acetyl]-N-(1,3-thiazol-2-yl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15951112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).