N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide

C12H13N3O3S — CID 25035779

IUPACN-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2)nc(C)n1
InChIInChI=1S/C12H13N3O3S/c1-9-13-11(8-12(14-9)18-2)15-19(16,17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,15)
InChIKeyUHOPAZUFYAJZEN-UHFFFAOYSA-N
MW279.32 g/mol
LogP1.59
Rot. Bonds4

About N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide

N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide (PubChem CID 25035779) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
PubChem CID25035779
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccccc2)nc(C)n1
InChIInChI=1S/C12H13N3O3S/c1-9-13-11(8-12(14-9)18-2)15-19(16,17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,15)
InChIKeyUHOPAZUFYAJZEN-UHFFFAOYSA-N
XLogP1.59
TPSA81.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.32
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide (CID 25035779) is N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide is COc1cc(NS(=O)(=O)c2ccccc2)nc(C)n1.
What is the InChIKey of N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide?
The InChIKey is UHOPAZUFYAJZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-9-13-11(8-12(14-9)18-2)15-19(16,17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,15).
What are the key properties of N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide?
N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide has a molecular weight of 279.32 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methoxy-2-methylpyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 25035779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).