3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one

C19H24ClN3O3S — CID 16659683

IUPAC3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCn1ccc2cc(Cl)ccc21)N1CCC(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C19H24ClN3O3S/c20-16-3-4-18-15(13-16)5-10-21(18)12-7-19(24)22-11-6-17(14-22)27(25,26)23-8-1-2-9-23/h3-5,10,13,17H,1-2,6-9,11-12,14H2
InChIKeyIKEZOWPWZOUOPG-UHFFFAOYSA-N
MW409.94 g/mol
LogP2.71
Rot. Bonds5

About 3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one

3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one (PubChem CID 16659683) has the molecular formula C19H24ClN3O3S and a molecular weight of 409.94 g/mol. Its IUPAC name is 3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one
PubChem CID16659683
Molecular FormulaC19H24ClN3O3S
Molecular Weight409.94 g/mol
Exact Mass409.12
IUPAC Name3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one
SMILESO=C(CCn1ccc2cc(Cl)ccc21)N1CCC(S(=O)(=O)N2CCCC2)C1
InChIInChI=1S/C19H24ClN3O3S/c20-16-3-4-18-15(13-16)5-10-21(18)12-7-19(24)22-11-6-17(14-22)27(25,26)23-8-1-2-9-23/h3-5,10,13,17H,1-2,6-9,11-12,14H2
InChIKeyIKEZOWPWZOUOPG-UHFFFAOYSA-N
XLogP2.71
TPSA62.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.94
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one?
The IUPAC name of 3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one (CID 16659683) is 3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one.
What is the SMILES notation for 3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one?
The canonical SMILES for 3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one is O=C(CCn1ccc2cc(Cl)ccc21)N1CCC(S(=O)(=O)N2CCCC2)C1.
What is the InChIKey of 3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one?
The InChIKey is IKEZOWPWZOUOPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O3S/c20-16-3-4-18-15(13-16)5-10-21(18)12-7-19(24)22-11-6-17(14-22)27(25,26)23-8-1-2-9-23/h3-5,10,13,17H,1-2,6-9,11-12,14H2.
What are the key properties of 3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one?
3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one has a molecular weight of 409.94 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-chloroindol-1-yl)-1-(3-pyrrolidin-1-ylsulfonylpyrrolidin-1-yl)propan-1-one is sourced from PubChem (CID 16659683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).