N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide

C23H24FN3O2S2 — CID 71151339

IUPACN-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide
SMILESO=S(=O)(NC1CCN(CCCc2c[nH]c3ccc(F)cc23)C1)c1csc2ccccc12
InChIInChI=1S/C23H24FN3O2S2/c24-17-7-8-21-20(12-17)16(13-25-21)4-3-10-27-11-9-18(14-27)26-31(28,29)23-15-30-22-6-2-1-5-19(22)23/h1-2,5-8,12-13,15,18,25-26H,3-4,9-11,14H2
InChIKeyLWTGCDULOPPMCW-UHFFFAOYSA-N
MW457.60 g/mol
LogP4.51
Rot. Bonds7

About N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide

N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide (PubChem CID 71151339) has the molecular formula C23H24FN3O2S2 and a molecular weight of 457.60 g/mol. Its IUPAC name is N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide
PubChem CID71151339
Molecular FormulaC23H24FN3O2S2
Molecular Weight457.60 g/mol
Exact Mass457.13
IUPAC NameN-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide
SMILESO=S(=O)(NC1CCN(CCCc2c[nH]c3ccc(F)cc23)C1)c1csc2ccccc12
InChIInChI=1S/C23H24FN3O2S2/c24-17-7-8-21-20(12-17)16(13-25-21)4-3-10-27-11-9-18(14-27)26-31(28,29)23-15-30-22-6-2-1-5-19(22)23/h1-2,5-8,12-13,15,18,25-26H,3-4,9-11,14H2
InChIKeyLWTGCDULOPPMCW-UHFFFAOYSA-N
XLogP4.51
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.60
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide?
The IUPAC name of N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide (CID 71151339) is N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide.
What is the SMILES notation for N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide?
The canonical SMILES for N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide is O=S(=O)(NC1CCN(CCCc2c[nH]c3ccc(F)cc23)C1)c1csc2ccccc12.
What is the InChIKey of N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide?
The InChIKey is LWTGCDULOPPMCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN3O2S2/c24-17-7-8-21-20(12-17)16(13-25-21)4-3-10-27-11-9-18(14-27)26-31(28,29)23-15-30-22-6-2-1-5-19(22)23/h1-2,5-8,12-13,15,18,25-26H,3-4,9-11,14H2.
What are the key properties of N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide?
N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide has a molecular weight of 457.60 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-benzothiophene-3-sulfonamide is sourced from PubChem (CID 71151339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).