N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide

C12H18N4O2S — CID 3450959

IUPACN-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
SMILESCCN1CN=C(NS(=O)(=O)c2ccc(C)cc2)NC1
InChIInChI=1S/C12H18N4O2S/c1-3-16-8-13-12(14-9-16)15-19(17,18)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyWBHZYIITYMITBK-UHFFFAOYSA-N
MW282.37 g/mol
LogP0.47
Rot. Bonds3

About N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide

N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide (PubChem CID 3450959) has the molecular formula C12H18N4O2S and a molecular weight of 282.37 g/mol. Its IUPAC name is N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
PubChem CID3450959
Molecular FormulaC12H18N4O2S
Molecular Weight282.37 g/mol
Exact Mass282.12
IUPAC NameN-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
SMILESCCN1CN=C(NS(=O)(=O)c2ccc(C)cc2)NC1
InChIInChI=1S/C12H18N4O2S/c1-3-16-8-13-12(14-9-16)15-19(17,18)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15)
InChIKeyWBHZYIITYMITBK-UHFFFAOYSA-N
XLogP0.47
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 38021503
sodium 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]acetate
CID 23673980
4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 7339712
N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
CID 7339714
N-[3-(2,3-dimethylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 17336978
4-chloro-N-[3-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124797704
4-bromo-N-[3-(1-hydroxy-2-methylpropan-2-yl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 38021484
2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]acetic acid;5-methyl-2-phenyl-4-[(2,4,6-tribromophenyl)iminomethyl]-1H-pyrazole-3-thione
CID 136639904
N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124907507
N-[4-(4-ethylpiperazine-1-carbonyl)phenyl]-4-methylbenzenesulfonamide
CID 2988153
N-(5-ethyl-4,5-dihydro-1,3-thiazol-2-yl)-4-methylbenzenesulfonamide
CID 57069610
4-methyl-N-(2,3,4,5-tetrahydropyridin-6-yl)benzenesulfonamide
CID 132523995

Frequently Asked Questions

What is the IUPAC name of N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide (CID 3450959) is N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide is CCN1CN=C(NS(=O)(=O)c2ccc(C)cc2)NC1.
What is the InChIKey of N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is WBHZYIITYMITBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2S/c1-3-16-8-13-12(14-9-16)15-19(17,18)11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H2,13,14,15).
What are the key properties of N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 282.37 g/mol, XLogP of 0.47, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3450959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).