N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide

C16H21N3O4S — CID 648848

IUPACN-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1
InChIInChI=1S/C16H21N3O4S/c1-11-5-6-12(2)14(9-11)24(20,21)17-7-8-23-16-18-13(3)10-15(19-16)22-4/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyQXQJTJOOZBKTIL-UHFFFAOYSA-N
MW351.43 g/mol
LogP1.77
Rot. Bonds7

About N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide

N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 648848) has the molecular formula C16H21N3O4S and a molecular weight of 351.43 g/mol. Its IUPAC name is N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide
PubChem CID648848
Molecular FormulaC16H21N3O4S
Molecular Weight351.43 g/mol
Exact Mass351.13
IUPAC NameN-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide
SMILESCOc1cc(C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1
InChIInChI=1S/C16H21N3O4S/c1-11-5-6-12(2)14(9-11)24(20,21)17-7-8-23-16-18-13(3)10-15(19-16)22-4/h5-6,9-10,17H,7-8H2,1-4H3
InChIKeyQXQJTJOOZBKTIL-UHFFFAOYSA-N
XLogP1.77
TPSA90.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.43
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide (CID 648848) is N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide is COc1cc(C)nc(OCCNS(=O)(=O)c2cc(C)ccc2C)n1.
What is the InChIKey of N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is QXQJTJOOZBKTIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4S/c1-11-5-6-12(2)14(9-11)24(20,21)17-7-8-23-16-18-13(3)10-15(19-16)22-4/h5-6,9-10,17H,7-8H2,1-4H3.
What are the key properties of N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide?
N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 351.43 g/mol, XLogP of 1.77, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-6-methylpyrimidin-2-yl)oxyethyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 648848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).