4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C22H17F3N4O3S2 — CID 59466006

IUPAC4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1[C@@H](n2ccc3ccc(C(F)(F)F)cc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H17F3N4O3S2/c23-22(24,25)15-2-1-14-7-10-29(19(14)13-15)18-8-11-28(20(18)30)16-3-5-17(6-4-16)34(31,32)27-21-26-9-12-33-21/h1-7,9-10,12-13,18H,8,11H2,(H,26,27)/t18-/m0/s1
InChIKeyIBMZUGKAYICGPE-SFHVURJKSA-N
MW506.53 g/mol
LogP4.90
Rot. Bonds5

About 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 59466006) has the molecular formula C22H17F3N4O3S2 and a molecular weight of 506.53 g/mol. Its IUPAC name is 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID59466006
Molecular FormulaC22H17F3N4O3S2
Molecular Weight506.53 g/mol
Exact Mass506.07
IUPAC Name4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESO=C1[C@@H](n2ccc3ccc(C(F)(F)F)cc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1
InChIInChI=1S/C22H17F3N4O3S2/c23-22(24,25)15-2-1-14-7-10-29(19(14)13-15)18-8-11-28(20(18)30)16-3-5-17(6-4-16)34(31,32)27-21-26-9-12-33-21/h1-7,9-10,12-13,18H,8,11H2,(H,26,27)/t18-/m0/s1
InChIKeyIBMZUGKAYICGPE-SFHVURJKSA-N
XLogP4.90
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 59466006) is 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is O=C1[C@@H](n2ccc3ccc(C(F)(F)F)cc32)CCN1c1ccc(S(=O)(=O)Nc2nccs2)cc1.
What is the InChIKey of 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is IBMZUGKAYICGPE-SFHVURJKSA-N. The full InChI is InChI=1S/C22H17F3N4O3S2/c23-22(24,25)15-2-1-14-7-10-29(19(14)13-15)18-8-11-28(20(18)30)16-3-5-17(6-4-16)34(31,32)27-21-26-9-12-33-21/h1-7,9-10,12-13,18H,8,11H2,(H,26,27)/t18-/m0/s1.
What are the key properties of 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 506.53 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-2-oxo-3-[6-(trifluoromethyl)indol-1-yl]pyrrolidin-1-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 59466006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).