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

C24H27FN4O2S — CID 71151670

IUPACN-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide
SMILESCn1ccc2cc(S(=O)(=O)NC3CCN(CCCc4c[nH]c5ccc(F)cc45)C3)ccc21
InChIInChI=1S/C24H27FN4O2S/c1-28-11-8-17-13-21(5-7-24(17)28)32(30,31)27-20-9-12-29(16-20)10-2-3-18-15-26-23-6-4-19(25)14-22(18)23/h4-8,11,13-15,20,26-27H,2-3,9-10,12,16H2,1H3
InChIKeyFIXXAFKNVVHGSQ-UHFFFAOYSA-N
MW454.57 g/mol
LogP3.78
Rot. Bonds7

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

N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide (PubChem CID 71151670) has the molecular formula C24H27FN4O2S and a molecular weight of 454.57 g/mol. Its IUPAC name is N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide.

Molecular Properties

Compound NameN-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide
PubChem CID71151670
Molecular FormulaC24H27FN4O2S
Molecular Weight454.57 g/mol
Exact Mass454.18
IUPAC NameN-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide
SMILESCn1ccc2cc(S(=O)(=O)NC3CCN(CCCc4c[nH]c5ccc(F)cc45)C3)ccc21
InChIInChI=1S/C24H27FN4O2S/c1-28-11-8-17-13-21(5-7-24(17)28)32(30,31)27-20-9-12-29(16-20)10-2-3-18-15-26-23-6-4-19(25)14-22(18)23/h4-8,11,13-15,20,26-27H,2-3,9-10,12,16H2,1H3
InChIKeyFIXXAFKNVVHGSQ-UHFFFAOYSA-N
XLogP3.78
TPSA70.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.57
LogP ≤ 53.78
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-methylindole-5-sulfonamide?
The IUPAC name of N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide (CID 71151670) is N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide.
What is the SMILES notation for N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide?
The canonical SMILES for N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide is Cn1ccc2cc(S(=O)(=O)NC3CCN(CCCc4c[nH]c5ccc(F)cc45)C3)ccc21.
What is the InChIKey of N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide?
The InChIKey is FIXXAFKNVVHGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O2S/c1-28-11-8-17-13-21(5-7-24(17)28)32(30,31)27-20-9-12-29(16-20)10-2-3-18-15-26-23-6-4-19(25)14-22(18)23/h4-8,11,13-15,20,26-27H,2-3,9-10,12,16H2,1H3.
What are the key properties of N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide?
N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-1-methylindole-5-sulfonamide has a molecular weight of 454.57 g/mol, XLogP of 3.78, 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-methylindole-5-sulfonamide is sourced from PubChem (CID 71151670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).