N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide

C18H21F2N5O3S — CID 126464672

IUPACN-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(C2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)nn1
InChIInChI=1S/C18H21F2N5O3S/c19-15-8-7-14(9-16(15)20)29(27,28)23-12-3-5-13(6-4-12)25-10-17(22-24-25)18(26)21-11-1-2-11/h7-13,23H,1-6H2,(H,21,26)
InChIKeyHQEIQYDJVHHZLZ-UHFFFAOYSA-N
MW425.46 g/mol
LogP1.91
Rot. Bonds6

About N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide

N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide (PubChem CID 126464672) has the molecular formula C18H21F2N5O3S and a molecular weight of 425.46 g/mol. Its IUPAC name is N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide
PubChem CID126464672
Molecular FormulaC18H21F2N5O3S
Molecular Weight425.46 g/mol
Exact Mass425.13
IUPAC NameN-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide
SMILESO=C(NC1CC1)c1cn(C2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)nn1
InChIInChI=1S/C18H21F2N5O3S/c19-15-8-7-14(9-16(15)20)29(27,28)23-12-3-5-13(6-4-12)25-10-17(22-24-25)18(26)21-11-1-2-11/h7-13,23H,1-6H2,(H,21,26)
InChIKeyHQEIQYDJVHHZLZ-UHFFFAOYSA-N
XLogP1.91
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.46
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide?
The IUPAC name of N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide (CID 126464672) is N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide?
The canonical SMILES for N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide is O=C(NC1CC1)c1cn(C2CCC(NS(=O)(=O)c3ccc(F)c(F)c3)CC2)nn1.
What is the InChIKey of N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide?
The InChIKey is HQEIQYDJVHHZLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N5O3S/c19-15-8-7-14(9-16(15)20)29(27,28)23-12-3-5-13(6-4-12)25-10-17(22-24-25)18(26)21-11-1-2-11/h7-13,23H,1-6H2,(H,21,26).
What are the key properties of N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide?
N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide has a molecular weight of 425.46 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[4-[(3,4-difluorophenyl)sulfonylamino]cyclohexyl]triazole-4-carboxamide is sourced from PubChem (CID 126464672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).