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

C14H17N3O3S — CID 767951

IUPACN-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H17N3O3S/c1-4-17(14-15-11(2)10-13(16-14)20-3)21(18,19)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKeyPORAFRHCVRLROW-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.01
Rot. Bonds5

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

N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (PubChem CID 767951) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
PubChem CID767951
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
SMILESCCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C14H17N3O3S/c1-4-17(14-15-11(2)10-13(16-14)20-3)21(18,19)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3
InChIKeyPORAFRHCVRLROW-UHFFFAOYSA-N
XLogP2.01
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
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-(5-bromo-4-methoxy-6-methylpyrimidin-2-yl)-4-methyl-N-(prop-2-en-1-yl)benzenesulfonamide
CID 1118002
N-benzyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 1212198
N-(4-methoxy-6-methylpyrimidin-2-yl)-N-propylbenzenesulfonamide
CID 3245110
2-chloro-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide
CID 742822
2-{4-[(4-Methoxyphenyl)sulfonyl]piperazin-1-yl}-4,6-dimethylpyrimidine
CID 5300804
Sulfamonomethoxine Sodium
CID 656643
Sulfadimethoxine Sodium
CID 13384041

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The IUPAC name of N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide (CID 767951) is N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide.
What is the SMILES notation for N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The canonical SMILES for N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is CCN(c1nc(C)cc(OC)n1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
The InChIKey is PORAFRHCVRLROW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-4-17(14-15-11(2)10-13(16-14)20-3)21(18,19)12-8-6-5-7-9-12/h5-10H,4H2,1-3H3.
What are the key properties of N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide?
N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(4-methoxy-6-methylpyrimidin-2-yl)benzenesulfonamide is sourced from PubChem (CID 767951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).