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

C15H17N3O3S — CID 742828

IUPACN-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O3S/c1-4-10-18(15-16-12(2)11-14(17-15)21-3)22(19,20)13-8-6-5-7-9-13/h4-9,11H,1,10H2,2-3H3
InChIKeyXXCOZVFKUHTZGI-UHFFFAOYSA-N
MW319.39 g/mol
LogP2.17
Rot. Bonds6

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

N-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide (PubChem CID 742828) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide
PubChem CID742828
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide
SMILESC=CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H17N3O3S/c1-4-10-18(15-16-12(2)11-14(17-15)21-3)22(19,20)13-8-6-5-7-9-13/h4-9,11H,1,10H2,2-3H3
InChIKeyXXCOZVFKUHTZGI-UHFFFAOYSA-N
XLogP2.17
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 52.17
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)-N-prop-2-enylbenzenesulfonamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide (CID 742828) is N-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide is C=CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide?
The InChIKey is XXCOZVFKUHTZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-4-10-18(15-16-12(2)11-14(17-15)21-3)22(19,20)13-8-6-5-7-9-13/h4-9,11H,1,10H2,2-3H3.
What are the key properties of N-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide?
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-prop-2-enylbenzenesulfonamide has a molecular weight of 319.39 g/mol, XLogP of 2.17, 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)-N-prop-2-enylbenzenesulfonamide is sourced from PubChem (CID 742828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).