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

C12H13N3O3S — CID 778472

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

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

N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 778472) has the molecular formula C12H13N3O3S and a molecular weight of 279.32 g/mol. Its IUPAC name is N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID778472
Molecular FormulaC12H13N3O3S
Molecular Weight279.32 g/mol
Exact Mass279.07
IUPAC NameN-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCOc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1
InChIInChI=1S/C12H13N3O3S/c1-9-8-11(18-2)14-12(13-9)15-19(16,17)10-6-4-3-5-7-10/h3-8H,1-2H3,(H,13,14,15)
InChIKeyZYCLWFHJQNMCSK-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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Related Compounds

Sulfadimethoxine
CID 5323
Sulfamonomethoxine
CID 5332
Sulfametomidine
CID 19596
N-Allyl-N-(4-methoxy-6-methyl-pyrimidin-2-yl)-benzenesulfonamide
CID 742828
N-[2-(4-Methoxy-6-methyl-pyrimidin-2-yloxy)-ethyl]-2,5-dimethyl-benzenesulfonamide
CID 648848
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
N4-Acetylsulfadimethoxine
CID 473359
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 742822
N-(5-chloro-4-methoxy-6-methylpyrimidin-2-yl)-4-methylbenzenesulfonamide
CID 658027
2-{4-[(4-Methoxyphenyl)sulfonyl]piperazin-1-yl}-4,6-dimethylpyrimidine
CID 5300804
Sulfamonomethoxine Sodium
CID 656643

Frequently Asked Questions

What is the IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 778472) is N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is COc1cc(C)nc(NS(=O)(=O)c2ccccc2)n1.
What is the InChIKey of N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is ZYCLWFHJQNMCSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O3S/c1-9-8-11(18-2)14-12(13-9)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-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
N-(4-methoxy-6-methylpyrimidin-2-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-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 778472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).