N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide

C17H20N4O2S — CID 71836297

IUPACN-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncnc3c2CCC3)C1)c1ccccc1
InChIInChI=1S/C17H20N4O2S/c22-24(23,14-5-2-1-3-6-14)20-13-9-10-21(11-13)17-15-7-4-8-16(15)18-12-19-17/h1-3,5-6,12-13,20H,4,7-11H2
InChIKeyZLLCNJLUYBQNER-UHFFFAOYSA-N
MW344.44 g/mol
LogP1.52
Rot. Bonds4

About N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide

N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide (PubChem CID 71836297) has the molecular formula C17H20N4O2S and a molecular weight of 344.44 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide
PubChem CID71836297
Molecular FormulaC17H20N4O2S
Molecular Weight344.44 g/mol
Exact Mass344.13
IUPAC NameN-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide
SMILESO=S(=O)(NC1CCN(c2ncnc3c2CCC3)C1)c1ccccc1
InChIInChI=1S/C17H20N4O2S/c22-24(23,14-5-2-1-3-6-14)20-13-9-10-21(11-13)17-15-7-4-8-16(15)18-12-19-17/h1-3,5-6,12-13,20H,4,7-11H2
InChIKeyZLLCNJLUYBQNER-UHFFFAOYSA-N
XLogP1.52
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide (CID 71836297) is N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide is O=S(=O)(NC1CCN(c2ncnc3c2CCC3)C1)c1ccccc1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide?
The InChIKey is ZLLCNJLUYBQNER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2S/c22-24(23,14-5-2-1-3-6-14)20-13-9-10-21(11-13)17-15-7-4-8-16(15)18-12-19-17/h1-3,5-6,12-13,20H,4,7-11H2.
What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide?
N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide has a molecular weight of 344.44 g/mol, XLogP of 1.52, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 71836297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).