N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide

C25H24F3N5O3S2 — CID 58215427

IUPACN-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
SMILESC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C25H24F3N5O3S2/c1-17(33-10-8-18-2-3-19(16-22(18)33)25(26,27)28)23(34)32-13-11-31(12-14-32)20-4-6-21(7-5-20)38(35,36)30-24-29-9-15-37-24/h2-10,15-17H,11-14H2,1H3,(H,29,30)/t17-/m1/s1
InChIKeyOHCFPRGOXFXMOZ-QGZVFWFLSA-N
MW563.63 g/mol
LogP4.83
Rot. Bonds6

About N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide

N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide (PubChem CID 58215427) has the molecular formula C25H24F3N5O3S2 and a molecular weight of 563.63 g/mol. Its IUPAC name is N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
PubChem CID58215427
Molecular FormulaC25H24F3N5O3S2
Molecular Weight563.63 g/mol
Exact Mass563.13
IUPAC NameN-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide
SMILESC[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccc(C(F)(F)F)cc21
InChIInChI=1S/C25H24F3N5O3S2/c1-17(33-10-8-18-2-3-19(16-22(18)33)25(26,27)28)23(34)32-13-11-31(12-14-32)20-4-6-21(7-5-20)38(35,36)30-24-29-9-15-37-24/h2-10,15-17H,11-14H2,1H3,(H,29,30)/t17-/m1/s1
InChIKeyOHCFPRGOXFXMOZ-QGZVFWFLSA-N
XLogP4.83
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500563.63
LogP ≤ 54.83
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)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide?
The IUPAC name of N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide (CID 58215427) is N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide.
What is the SMILES notation for N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide?
The canonical SMILES for N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide is C[C@H](C(=O)N1CCN(c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1)n1ccc2ccc(C(F)(F)F)cc21.
What is the InChIKey of N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide?
The InChIKey is OHCFPRGOXFXMOZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H24F3N5O3S2/c1-17(33-10-8-18-2-3-19(16-22(18)33)25(26,27)28)23(34)32-13-11-31(12-14-32)20-4-6-21(7-5-20)38(35,36)30-24-29-9-15-37-24/h2-10,15-17H,11-14H2,1H3,(H,29,30)/t17-/m1/s1.
What are the key properties of N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide?
N-(1,3-thiazol-2-yl)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide has a molecular weight of 563.63 g/mol, XLogP of 4.83, 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)-4-[4-[(2R)-2-[6-(trifluoromethyl)indol-1-yl]propanoyl]piperazin-1-yl]benzenesulfonamide is sourced from PubChem (CID 58215427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).