5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione

C20H20N2O4S — CID 51699825

IUPAC5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione
SMILESCCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H20N2O4S/c1-2-3-14-21-15-18(27(25,26)17-12-8-5-9-13-17)19(23)22(20(21)24)16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3
InChIKeyRYVLWJKPEIZOAD-UHFFFAOYSA-N
MW384.46 g/mol
LogP2.63
Rot. Bonds6

About 5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione

5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione (PubChem CID 51699825) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione
PubChem CID51699825
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC Name5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione
SMILESCCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1=O
InChIInChI=1S/C20H20N2O4S/c1-2-3-14-21-15-18(27(25,26)17-12-8-5-9-13-17)19(23)22(20(21)24)16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3
InChIKeyRYVLWJKPEIZOAD-UHFFFAOYSA-N
XLogP2.63
TPSA78.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione?
The IUPAC name of 5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione (CID 51699825) is 5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione.
What is the SMILES notation for 5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione?
The canonical SMILES for 5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione is CCCCn1cc(S(=O)(=O)c2ccccc2)c(=O)n(-c2ccccc2)c1=O.
What is the InChIKey of 5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione?
The InChIKey is RYVLWJKPEIZOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-2-3-14-21-15-18(27(25,26)17-12-8-5-9-13-17)19(23)22(20(21)24)16-10-6-4-7-11-16/h4-13,15H,2-3,14H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione?
5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione has a molecular weight of 384.46 g/mol, XLogP of 2.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-1-butyl-3-phenylpyrimidine-2,4-dione is sourced from PubChem (CID 51699825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).