4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

C24H23FN4O3S2 — CID 24872482

IUPAC4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESC[C@H](C(=O)N1CCCC1c1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2c(F)cccc21
InChIInChI=1S/C24H23FN4O3S2/c1-16(28-14-11-19-20(25)4-2-5-22(19)28)23(30)29-13-3-6-21(29)17-7-9-18(10-8-17)34(31,32)27-24-26-12-15-33-24/h2,4-5,7-12,14-16,21H,3,6,13H2,1H3,(H,26,27)/t16-,21?/m1/s1
InChIKeyNGLBTMCDKQGDJR-UJONTBEJSA-N
MW498.61 g/mol
LogP4.96
Rot. Bonds6

About 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide

4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (PubChem CID 24872482) has the molecular formula C24H23FN4O3S2 and a molecular weight of 498.61 g/mol. Its IUPAC name is 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
PubChem CID24872482
Molecular FormulaC24H23FN4O3S2
Molecular Weight498.61 g/mol
Exact Mass498.12
IUPAC Name4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
SMILESC[C@H](C(=O)N1CCCC1c1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2c(F)cccc21
InChIInChI=1S/C24H23FN4O3S2/c1-16(28-14-11-19-20(25)4-2-5-22(19)28)23(30)29-13-3-6-21(29)17-7-9-18(10-8-17)34(31,32)27-24-26-12-15-33-24/h2,4-5,7-12,14-16,21H,3,6,13H2,1H3,(H,26,27)/t16-,21?/m1/s1
InChIKeyNGLBTMCDKQGDJR-UJONTBEJSA-N
XLogP4.96
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.61
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The IUPAC name of 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide (CID 24872482) is 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is C[C@H](C(=O)N1CCCC1c1ccc(S(=O)(=O)Nc2nccs2)cc1)n1ccc2c(F)cccc21.
What is the InChIKey of 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
The InChIKey is NGLBTMCDKQGDJR-UJONTBEJSA-N. The full InChI is InChI=1S/C24H23FN4O3S2/c1-16(28-14-11-19-20(25)4-2-5-22(19)28)23(30)29-13-3-6-21(29)17-7-9-18(10-8-17)34(31,32)27-24-26-12-15-33-24/h2,4-5,7-12,14-16,21H,3,6,13H2,1H3,(H,26,27)/t16-,21?/m1/s1.
What are the key properties of 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide?
4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide has a molecular weight of 498.61 g/mol, XLogP of 4.96, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(2R)-2-(4-fluoroindol-1-yl)propanoyl]pyrrolidin-2-yl]-N-(1,3-thiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 24872482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).