N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide

C16H19N3O3S — CID 767952

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H19N3O3S/c1-5-10-19(16-17-13(3)11-15(18-16)22-4)23(20,21)14-8-6-12(2)7-9-14/h5-9,11H,1,10H2,2-4H3
InChIKeyPQFHZHQSQIULHA-UHFFFAOYSA-N
MW333.41 g/mol
LogP2.48
Rot. Bonds6

About N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide

N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide (PubChem CID 767952) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide
PubChem CID767952
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C16H19N3O3S/c1-5-10-19(16-17-13(3)11-15(18-16)22-4)23(20,21)14-8-6-12(2)7-9-14/h5-9,11H,1,10H2,2-4H3
InChIKeyPQFHZHQSQIULHA-UHFFFAOYSA-N
XLogP2.48
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide (CID 767952) is N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide is C=CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
The InChIKey is PQFHZHQSQIULHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-5-10-19(16-17-13(3)11-15(18-16)22-4)23(20,21)14-8-6-12(2)7-9-14/h5-9,11H,1,10H2,2-4H3.
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide has a molecular weight of 333.41 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 767952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).