N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide

C14H16BrN3O3S — CID 1114632

IUPACN-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1nc(N(C)S(=O)(=O)c2ccc(C)cc2)nc(C)c1Br
InChIInChI=1S/C14H16BrN3O3S/c1-9-5-7-11(8-6-9)22(19,20)18(3)14-16-10(2)12(15)13(17-14)21-4/h5-8H,1-4H3
InChIKeyXEXNRDFXFZHUBM-UHFFFAOYSA-N
MW386.27 g/mol
LogP2.69
Rot. Bonds4

About N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide

N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide (PubChem CID 1114632) has the molecular formula C14H16BrN3O3S and a molecular weight of 386.27 g/mol. Its IUPAC name is N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
PubChem CID1114632
Molecular FormulaC14H16BrN3O3S
Molecular Weight386.27 g/mol
Exact Mass385.01
IUPAC NameN-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide
SMILESCOc1nc(N(C)S(=O)(=O)c2ccc(C)cc2)nc(C)c1Br
InChIInChI=1S/C14H16BrN3O3S/c1-9-5-7-11(8-6-9)22(19,20)18(3)14-16-10(2)12(15)13(17-14)21-4/h5-8H,1-4H3
InChIKeyXEXNRDFXFZHUBM-UHFFFAOYSA-N
XLogP2.69
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.27
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide?
The IUPAC name of N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide (CID 1114632) is N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide?
The canonical SMILES for N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide is COc1nc(N(C)S(=O)(=O)c2ccc(C)cc2)nc(C)c1Br.
What is the InChIKey of N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide?
The InChIKey is XEXNRDFXFZHUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O3S/c1-9-5-7-11(8-6-9)22(19,20)18(3)14-16-10(2)12(15)13(17-14)21-4/h5-8H,1-4H3.
What are the key properties of N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide?
N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide has a molecular weight of 386.27 g/mol, XLogP of 2.69, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-N,4-dimethylbenzenesulfonamide is sourced from PubChem (CID 1114632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).