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

C20H17F3N4O3S2 — CID 15950984

IUPACN-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C20H17F3N4O3S2/c21-20(22,23)14-1-3-15(4-2-14)25-12-18(28)27-9-7-13-11-16(5-6-17(13)27)32(29,30)26-19-24-8-10-31-19/h1-6,8,10-11,25H,7,9,12H2,(H,24,26)
InChIKeyHYQYKAGYCZMLLA-UHFFFAOYSA-N
MW482.51 g/mol
LogP3.96
Rot. Bonds6

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

N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide (PubChem CID 15950984) has the molecular formula C20H17F3N4O3S2 and a molecular weight of 482.51 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide
PubChem CID15950984
Molecular FormulaC20H17F3N4O3S2
Molecular Weight482.51 g/mol
Exact Mass482.07
IUPAC NameN-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide
SMILESO=C(CNc1ccc(C(F)(F)F)cc1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21
InChIInChI=1S/C20H17F3N4O3S2/c21-20(22,23)14-1-3-15(4-2-14)25-12-18(28)27-9-7-13-11-16(5-6-17(13)27)32(29,30)26-19-24-8-10-31-19/h1-6,8,10-11,25H,7,9,12H2,(H,24,26)
InChIKeyHYQYKAGYCZMLLA-UHFFFAOYSA-N
XLogP3.96
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.51
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide (CID 15950984) is N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide is O=C(CNc1ccc(C(F)(F)F)cc1)N1CCc2cc(S(=O)(=O)Nc3nccs3)ccc21.
What is the InChIKey of N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide?
The InChIKey is HYQYKAGYCZMLLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F3N4O3S2/c21-20(22,23)14-1-3-15(4-2-14)25-12-18(28)27-9-7-13-11-16(5-6-17(13)27)32(29,30)26-19-24-8-10-31-19/h1-6,8,10-11,25H,7,9,12H2,(H,24,26).
What are the key properties of N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide?
N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide has a molecular weight of 482.51 g/mol, XLogP of 3.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-yl)-1-[2-[4-(trifluoromethyl)anilino]acetyl]-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 15950984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).