5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine

C20H19N3O2S — CID 1484763

IUPAC5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine
SMILESO=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1N1CCCC1
InChIInChI=1S/C20H19N3O2S/c24-26(25,17-11-5-2-6-12-17)18-15-21-19(16-9-3-1-4-10-16)22-20(18)23-13-7-8-14-23/h1-6,9-12,15H,7-8,13-14H2
InChIKeyURJHTGIFSKEOLE-UHFFFAOYSA-N
MW365.46 g/mol
LogP3.58
Rot. Bonds4

About 5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine

5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine (PubChem CID 1484763) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine
PubChem CID1484763
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine
SMILESO=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1N1CCCC1
InChIInChI=1S/C20H19N3O2S/c24-26(25,17-11-5-2-6-12-17)18-15-21-19(16-9-3-1-4-10-16)22-20(18)23-13-7-8-14-23/h1-6,9-12,15H,7-8,13-14H2
InChIKeyURJHTGIFSKEOLE-UHFFFAOYSA-N
XLogP3.58
TPSA63.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine (CID 1484763) is 5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine is O=S(=O)(c1ccccc1)c1cnc(-c2ccccc2)nc1N1CCCC1.
What is the InChIKey of 5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine?
The InChIKey is URJHTGIFSKEOLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c24-26(25,17-11-5-2-6-12-17)18-15-21-19(16-9-3-1-4-10-16)22-20(18)23-13-7-8-14-23/h1-6,9-12,15H,7-8,13-14H2.
What are the key properties of 5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine?
5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine has a molecular weight of 365.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-2-phenyl-4-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 1484763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).