4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide

C21H23ClFN3O2S — CID 71151517

IUPAC4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCCc2c[nH]c3ccc(F)cc23)C1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClFN3O2S/c22-16-3-6-19(7-4-16)29(27,28)25-18-9-11-26(14-18)10-1-2-15-13-24-21-8-5-17(23)12-20(15)21/h3-8,12-13,18,24-25H,1-2,9-11,14H2
InChIKeyBJFJDPHPIFTHEJ-UHFFFAOYSA-N
MW435.95 g/mol
LogP3.95
Rot. Bonds7

About 4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide

4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 71151517) has the molecular formula C21H23ClFN3O2S and a molecular weight of 435.95 g/mol. Its IUPAC name is 4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide
PubChem CID71151517
Molecular FormulaC21H23ClFN3O2S
Molecular Weight435.95 g/mol
Exact Mass435.12
IUPAC Name4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(CCCc2c[nH]c3ccc(F)cc23)C1)c1ccc(Cl)cc1
InChIInChI=1S/C21H23ClFN3O2S/c22-16-3-6-19(7-4-16)29(27,28)25-18-9-11-26(14-18)10-1-2-15-13-24-21-8-5-17(23)12-20(15)21/h3-8,12-13,18,24-25H,1-2,9-11,14H2
InChIKeyBJFJDPHPIFTHEJ-UHFFFAOYSA-N
XLogP3.95
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.95
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[1-[2-(1H-indol-3-yl)ethyl]piperidin-4-yl]benzenesulfonamide
CID 22754835
5-chloro-N-[1-[3-(5-chloro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]-3-methyl-1-benzothiophene-2-sulfonamide
CID 71151795
[1-[3-(5-fluoro-1H-indol-3-yl)propyl]azetidin-3-yl]methanamine
CID 71151627
6-chloro-N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]naphthalene-2-sulfonamide
CID 71151865
N-[2-(5-chloro-1H-indol-3-yl)ethyl]-4-fluorobenzenesulfonamide
CID 3161292
1-[2-(5-fluoro-1H-indol-3-yl)ethyl]pyrrolidine-3-carbonitrile
CID 170040522
N-[1-[3-(6-fluoro-1,2-benzoxazol-3-yl)propyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 71151352
N-[2-(5-fluoro-1H-indol-3-yl)ethyl]-4-iodobenzenesulfonamide
CID 5008232
4-fluoro-N-[1-(2-phenoxyethyl)pyrrolidin-3-yl]benzenesulfonamide
CID 71456782
N-[3-(5-chloro-1H-indol-3-yl)propyl]-4-(3-pyrrolidin-1-ylpropoxy)benzenesulfonamide
CID 156806832
3-[3-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]propyl]-5-methoxy-1H-indole
CID 72734844
3-[3-[4-(3-chloro-2-pyridinyl)piperazin-1-yl]propyl]-5-fluoro-1H-indole
CID 90469554

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide (CID 71151517) is 4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(NC1CCN(CCCc2c[nH]c3ccc(F)cc23)C1)c1ccc(Cl)cc1.
What is the InChIKey of 4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is BJFJDPHPIFTHEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClFN3O2S/c22-16-3-6-19(7-4-16)29(27,28)25-18-9-11-26(14-18)10-1-2-15-13-24-21-8-5-17(23)12-20(15)21/h3-8,12-13,18,24-25H,1-2,9-11,14H2.
What are the key properties of 4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide?
4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 435.95 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[3-(5-fluoro-1H-indol-3-yl)propyl]pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 71151517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).