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

C15H21FN4O2S — CID 30466401

IUPACN-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1=NCN(C2CCCCC2)CN1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN4O2S/c16-12-6-8-14(9-7-12)23(21,22)19-15-17-10-20(11-18-15)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,17,18,19)
InChIKeyYSRCTWUTJKCGGR-UHFFFAOYSA-N
MW340.42 g/mol
LogP1.61
Rot. Bonds3

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

N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide (PubChem CID 30466401) has the molecular formula C15H21FN4O2S and a molecular weight of 340.42 g/mol. Its IUPAC name is N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide
PubChem CID30466401
Molecular FormulaC15H21FN4O2S
Molecular Weight340.42 g/mol
Exact Mass340.14
IUPAC NameN-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide
SMILESO=S(=O)(NC1=NCN(C2CCCCC2)CN1)c1ccc(F)cc1
InChIInChI=1S/C15H21FN4O2S/c16-12-6-8-14(9-7-12)23(21,22)19-15-17-10-20(11-18-15)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,17,18,19)
InChIKeyYSRCTWUTJKCGGR-UHFFFAOYSA-N
XLogP1.61
TPSA73.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 51.61
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-fluorobenzenesulfonamide?
The IUPAC name of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide (CID 30466401) is N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide is O=S(=O)(NC1=NCN(C2CCCCC2)CN1)c1ccc(F)cc1.
What is the InChIKey of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide?
The InChIKey is YSRCTWUTJKCGGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21FN4O2S/c16-12-6-8-14(9-7-12)23(21,22)19-15-17-10-20(11-18-15)13-4-2-1-3-5-13/h6-9,13H,1-5,10-11H2,(H2,17,18,19).
What are the key properties of N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide?
N-(3-cyclohexyl-2,4-dihydro-1H-1,3,5-triazin-6-yl)-4-fluorobenzenesulfonamide has a molecular weight of 340.42 g/mol, XLogP of 1.61, 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-fluorobenzenesulfonamide is sourced from PubChem (CID 30466401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).