N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide

C23H17F3N4O4S2 — CID 59432941

IUPACN-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide
SMILESO=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C23H17F3N4O4S2/c24-23(25,26)17-3-1-2-16-19(6-8-27-21(16)17)34-13-20(31)30-10-7-14-12-15(4-5-18(14)30)36(32,33)29-22-28-9-11-35-22/h1-6,8-9,11-12H,7,10,13H2,(H,28,29)
InChIKeySTRDMQUFTXIBRK-UHFFFAOYSA-N
MW534.54 g/mol
LogP4.48
Rot. Bonds6

About N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide

N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 59432941) has the molecular formula C23H17F3N4O4S2 and a molecular weight of 534.54 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID59432941
Molecular FormulaC23H17F3N4O4S2
Molecular Weight534.54 g/mol
Exact Mass534.06
IUPAC NameN-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide
SMILESO=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C23H17F3N4O4S2/c24-23(25,26)17-3-1-2-16-19(6-8-27-21(16)17)34-13-20(31)30-10-7-14-12-15(4-5-18(14)30)36(32,33)29-22-28-9-11-35-22/h1-6,8-9,11-12H,7,10,13H2,(H,28,29)
InChIKeySTRDMQUFTXIBRK-UHFFFAOYSA-N
XLogP4.48
TPSA101.49 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500534.54
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide (CID 59432941) is N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide is O=C(COc1ccnc2c(C(F)(F)F)cccc12)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21.
What is the InChIKey of N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is STRDMQUFTXIBRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F3N4O4S2/c24-23(25,26)17-3-1-2-16-19(6-8-27-21(16)17)34-13-20(31)30-10-7-14-12-15(4-5-18(14)30)36(32,33)29-22-28-9-11-35-22/h1-6,8-9,11-12H,7,10,13H2,(H,28,29).
What are the key properties of N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide?
N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 534.54 g/mol, XLogP of 4.48, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-1-[2-[8-(trifluoromethyl)quinolin-4-yl]oxyacetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 59432941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).