N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide

C19H26FN5O3S — CID 25291131

IUPACN,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C19H26FN5O3S/c1-3-24(4-2)19(26)18-13-25(23-21-18)16-9-7-15(8-10-16)22-29(27,28)17-11-5-14(20)6-12-17/h5-6,11-13,15-16,22H,3-4,7-10H2,1-2H3
InChIKeyJRZONEJRCMZZMF-UHFFFAOYSA-N
MW423.51 g/mol
LogP2.36
Rot. Bonds7

About N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide

N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide (PubChem CID 25291131) has the molecular formula C19H26FN5O3S and a molecular weight of 423.51 g/mol. Its IUPAC name is N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide
PubChem CID25291131
Molecular FormulaC19H26FN5O3S
Molecular Weight423.51 g/mol
Exact Mass423.17
IUPAC NameN,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide
SMILESCCN(CC)C(=O)c1cn(C2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nn1
InChIInChI=1S/C19H26FN5O3S/c1-3-24(4-2)19(26)18-13-25(23-21-18)16-9-7-15(8-10-16)22-29(27,28)17-11-5-14(20)6-12-17/h5-6,11-13,15-16,22H,3-4,7-10H2,1-2H3
InChIKeyJRZONEJRCMZZMF-UHFFFAOYSA-N
XLogP2.36
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.51
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide?
The IUPAC name of N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide (CID 25291131) is N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide.
What is the SMILES notation for N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide?
The canonical SMILES for N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide is CCN(CC)C(=O)c1cn(C2CCC(NS(=O)(=O)c3ccc(F)cc3)CC2)nn1.
What is the InChIKey of N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide?
The InChIKey is JRZONEJRCMZZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O3S/c1-3-24(4-2)19(26)18-13-25(23-21-18)16-9-7-15(8-10-16)22-29(27,28)17-11-5-14(20)6-12-17/h5-6,11-13,15-16,22H,3-4,7-10H2,1-2H3.
What are the key properties of N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide?
N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide has a molecular weight of 423.51 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-1-[4-[(4-fluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide is sourced from PubChem (CID 25291131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).