N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide

C21H32FN7O2S — CID 12072017

IUPACN-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide
SMILESCCNc1nc(NCC)nc(NCC2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C21H32FN7O2S/c1-3-23-19-27-20(24-4-2)29-21(28-19)25-13-15-5-7-16(8-6-15)14-26-32(30,31)18-11-9-17(22)10-12-18/h9-12,15-16,26H,3-8,13-14H2,1-2H3,(H3,23,24,25,27,28,29)
InChIKeyJERVOMZXRQCHIQ-UHFFFAOYSA-N
MW465.60 g/mol
LogP3.07
Rot. Bonds11

About N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide

N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide (PubChem CID 12072017) has the molecular formula C21H32FN7O2S and a molecular weight of 465.60 g/mol. Its IUPAC name is N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide
PubChem CID12072017
Molecular FormulaC21H32FN7O2S
Molecular Weight465.60 g/mol
Exact Mass465.23
IUPAC NameN-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide
SMILESCCNc1nc(NCC)nc(NCC2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)n1
InChIInChI=1S/C21H32FN7O2S/c1-3-23-19-27-20(24-4-2)29-21(28-19)25-13-15-5-7-16(8-6-15)14-26-32(30,31)18-11-9-17(22)10-12-18/h9-12,15-16,26H,3-8,13-14H2,1-2H3,(H3,23,24,25,27,28,29)
InChIKeyJERVOMZXRQCHIQ-UHFFFAOYSA-N
XLogP3.07
TPSA120.93 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.60
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide with MolForge

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Related Compounds

N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]pyridine-3-sulfonamide
CID 22254021
N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-2H-benzimidazole-5-sulfonamide
CID 20590350
4-fluoro-N-[(4-methylcyclohexyl)methyl]benzenesulfonamide
CID 55136827
N-(cyclopropylmethyl)-4-(ethylamino)benzenesulfonamide
CID 62149902
N-(cyclopropylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62150077
4-fluoro-N-[(6-methylpiperidin-3-yl)methyl]benzenesulfonamide
CID 63008897
4-(cyclopropylmethylamino)-N-ethylbenzenesulfonamide
CID 43453957
4-(cyclopropylmethylsulfamoyl)benzenesulfonyl chloride
CID 18072907
N-(cyclopentylmethyl)-2-(ethylamino)pyrimidine-5-sulfonamide
CID 62145867
N-butan-2-yl-4-[[(4-fluorophenyl)sulfonylamino]methyl]cyclohexane-1-carboxamide
CID 3467303
4-fluoro-N-[[1-(oxan-4-yl)piperidin-4-yl]methyl]benzenesulfonamide
CID 121109566
tert-butyl 4-[[(4-fluorophenyl)sulfonylamino]methyl]piperidine-1-carboxylate
CID 18374698

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide (CID 12072017) is N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide is CCNc1nc(NCC)nc(NCC2CCC(CNS(=O)(=O)c3ccc(F)cc3)CC2)n1.
What is the InChIKey of N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide?
The InChIKey is JERVOMZXRQCHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32FN7O2S/c1-3-23-19-27-20(24-4-2)29-21(28-19)25-13-15-5-7-16(8-6-15)14-26-32(30,31)18-11-9-17(22)10-12-18/h9-12,15-16,26H,3-8,13-14H2,1-2H3,(H3,23,24,25,27,28,29).
What are the key properties of N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide?
N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide has a molecular weight of 465.60 g/mol, XLogP of 3.07, 11 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[[4,6-bis(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexyl]methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 12072017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).