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

C17H26N4O2S — CID 7339714

IUPACN-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(C3CCCCCC3)CN2)cc1
InChIInChI=1S/C17H26N4O2S/c1-14-8-10-16(11-9-14)24(22,23)20-17-18-12-21(13-19-17)15-6-4-2-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H2,18,19,20)
InChIKeyBDDFFDRFNMYCAD-UHFFFAOYSA-N
MW350.49 g/mol
LogP2.17
Rot. Bonds3

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

N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide (PubChem CID 7339714) has the molecular formula C17H26N4O2S and a molecular weight of 350.49 g/mol. Its IUPAC name is N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
PubChem CID7339714
Molecular FormulaC17H26N4O2S
Molecular Weight350.49 g/mol
Exact Mass350.18
IUPAC NameN-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(C3CCCCCC3)CN2)cc1
InChIInChI=1S/C17H26N4O2S/c1-14-8-10-16(11-9-14)24(22,23)20-17-18-12-21(13-19-17)15-6-4-2-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H2,18,19,20)
InChIKeyBDDFFDRFNMYCAD-UHFFFAOYSA-N
XLogP2.17
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.49
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2,3-dimethylcyclohexyl)-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 17336978
N-[3-[2-(dimethylamino)ethyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]-4-methylbenzenesulfonamide
CID 38021503
N-(3-ethyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
CID 3450959
4-methyl-N-[3-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 7339712
N-[3-[(1S,2S,3R)-2,3-dimethylcyclohexyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124907507
sodium 2-[6-[(4-methylphenyl)sulfonylamino]-2,4-dihydro-1H-1,3,5-triazin-3-yl]acetate
CID 23673980
4-chloro-N-[3-[[(1R,2S,3R)-2,3-dimethylcyclohexyl]methyl]-2,4-dihydro-1H-1,3,5-triazin-6-yl]benzenesulfonamide
CID 124797704
N-[(2S)-2-cyclopentyl-1,2,3,6-tetrahydropyrazin-5-yl]-4-methylbenzenesulfonamide
CID 134957986
N-(cycloheptylmethyl)-4-methylbenzenesulfonamide
CID 134942537
N-[(1S,2R)-2-bromocyclohexyl]-4-methylbenzenesulfonamide
CID 134933905
N-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfonylcyclohexanecarboxamide
CID 1350854
4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide
CID 57066316

Frequently Asked Questions

What is the IUPAC name of N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide (CID 7339714) is N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NCN(C3CCCCCC3)CN2)cc1.
What is the InChIKey of N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is BDDFFDRFNMYCAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O2S/c1-14-8-10-16(11-9-14)24(22,23)20-17-18-12-21(13-19-17)15-6-4-2-3-5-7-15/h8-11,15H,2-7,12-13H2,1H3,(H2,18,19,20).
What are the key properties of N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 350.49 g/mol, XLogP of 2.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cycloheptyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 7339714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).