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

C16H24N4O2S — CID 3237352

IUPACN-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(C3CCCCC3)CN2)cc1
InChIInChI=1S/C16H24N4O2S/c1-13-7-9-15(10-8-13)23(21,22)19-16-17-11-20(12-18-16)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19)
InChIKeyCWEHNGYOJBQWCR-UHFFFAOYSA-N
MW336.46 g/mol
LogP1.78
Rot. Bonds3

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

N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide (PubChem CID 3237352) has the molecular formula C16H24N4O2S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
PubChem CID3237352
Molecular FormulaC16H24N4O2S
Molecular Weight336.46 g/mol
Exact Mass336.16
IUPAC NameN-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NC2=NCN(C3CCCCC3)CN2)cc1
InChIInChI=1S/C16H24N4O2S/c1-13-7-9-15(10-8-13)23(21,22)19-16-17-11-20(12-18-16)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19)
InChIKeyCWEHNGYOJBQWCR-UHFFFAOYSA-N
XLogP1.78
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The IUPAC name of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide (CID 3237352) is N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide.
What is the SMILES notation for N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The canonical SMILES for N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)NC2=NCN(C3CCCCC3)CN2)cc1.
What is the InChIKey of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
The InChIKey is CWEHNGYOJBQWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2S/c1-13-7-9-15(10-8-13)23(21,22)19-16-17-11-20(12-18-16)14-5-3-2-4-6-14/h7-10,14H,2-6,11-12H2,1H3,(H2,17,18,19).
What are the key properties of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide?
N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide has a molecular weight of 336.46 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 3237352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).