N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide

C15H19N3O4S — CID 71795176

IUPACN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide
SMILESCCc1cc(=O)n(CCNS(=O)(=O)c2cccc(OC)c2)cn1
InChIInChI=1S/C15H19N3O4S/c1-3-12-9-15(19)18(11-16-12)8-7-17-23(20,21)14-6-4-5-13(10-14)22-2/h4-6,9-11,17H,3,7-8H2,1-2H3
InChIKeyNNAFYSRGRFKTBV-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.79
Rot. Bonds7

About N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide

N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide (PubChem CID 71795176) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide
PubChem CID71795176
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide
SMILESCCc1cc(=O)n(CCNS(=O)(=O)c2cccc(OC)c2)cn1
InChIInChI=1S/C15H19N3O4S/c1-3-12-9-15(19)18(11-16-12)8-7-17-23(20,21)14-6-4-5-13(10-14)22-2/h4-6,9-11,17H,3,7-8H2,1-2H3
InChIKeyNNAFYSRGRFKTBV-UHFFFAOYSA-N
XLogP0.79
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide (CID 71795176) is N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide is CCc1cc(=O)n(CCNS(=O)(=O)c2cccc(OC)c2)cn1.
What is the InChIKey of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide?
The InChIKey is NNAFYSRGRFKTBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c1-3-12-9-15(19)18(11-16-12)8-7-17-23(20,21)14-6-4-5-13(10-14)22-2/h4-6,9-11,17H,3,7-8H2,1-2H3.
What are the key properties of N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide?
N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide has a molecular weight of 337.40 g/mol, XLogP of 0.79, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-ethyl-6-oxopyrimidin-1-yl)ethyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 71795176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).