4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide

C23H28FN5O3S — CID 70811937

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide
SMILESCC(C)CCCCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C23H28FN5O3S/c1-17(2)5-3-4-14-29-16-21(26-28-29)15-25-23(30)18-6-10-20(11-7-18)27-33(31,32)22-12-8-19(24)9-13-22/h6-13,16-17,27H,3-5,14-15H2,1-2H3,(H,25,30)
InChIKeyZVERGKJODHLTIU-UHFFFAOYSA-N
MW473.57 g/mol
LogP3.97
Rot. Bonds11

About 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide

4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide (PubChem CID 70811937) has the molecular formula C23H28FN5O3S and a molecular weight of 473.57 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide
PubChem CID70811937
Molecular FormulaC23H28FN5O3S
Molecular Weight473.57 g/mol
Exact Mass473.19
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide
SMILESCC(C)CCCCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C23H28FN5O3S/c1-17(2)5-3-4-14-29-16-21(26-28-29)15-25-23(30)18-6-10-20(11-7-18)27-33(31,32)22-12-8-19(24)9-13-22/h6-13,16-17,27H,3-5,14-15H2,1-2H3,(H,25,30)
InChIKeyZVERGKJODHLTIU-UHFFFAOYSA-N
XLogP3.97
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-sulfamoylbenzamide
CID 53377643
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-(methanesulfonamido)benzamide
CID 53377646
N-[(S)-[1-(1-cyanocyclopropyl)triazol-4-yl]-cyclohexylmethyl]-4-(methylsulfamoyl)benzamide
CID 53377752
4-(dimethylsulfamoyl)-N-[4-(5-phenyltriazol-1-yl)phenyl]benzamide
CID 4172772
4-[[1-(3-aminopropyl)triazol-4-yl]methylamino]-N-[7-(hydroxyamino)-7-oxoheptyl]benzamide
CID 44449588
3-[(4-chlorophenyl)sulfamoyl]-4-methyl-N-[(1-methyltriazol-4-yl)methyl]benzamide
CID 145952572
N'-(3-carbamoylphenyl)-N-[[1-(1-phenylethyl)triazol-4-yl]methyl]pentanediamide
CID 168278634
N-benzyl-4-(phenylsulfamoyl)-N-[[1-(pyridin-4-ylmethyl)triazol-4-yl]methyl]benzamide
CID 168279052
N-benzyl-N-[(1-benzyltriazol-4-yl)methyl]-4-(phenylsulfamoyl)benzamide
CID 168280187
N-benzyl-N-[2-(1-benzyltriazol-4-yl)ethyl]-4-(phenylsulfamoyl)benzamide
CID 168292807
4-[(4-fluorophenyl)sulfonylamino]-N-[[1-[4-[(5R)-5-methyl-5-[(1E)-2-methylbuta-1,3-dienyl]-2,4-dioxothiolan-3-yl]butyl]triazol-4-yl]methyl]benzamide
CID 71468994
4-[4-(2-methylpropyl)-1,2,3-triazol-1-yl]-~{N}-[3,3,3-tris(fluoranyl)propyl]benzamide
CID 73504817

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide (CID 70811937) is 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide is CC(C)CCCCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nn1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide?
The InChIKey is ZVERGKJODHLTIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN5O3S/c1-17(2)5-3-4-14-29-16-21(26-28-29)15-25-23(30)18-6-10-20(11-7-18)27-33(31,32)22-12-8-19(24)9-13-22/h6-13,16-17,27H,3-5,14-15H2,1-2H3,(H,25,30).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide?
4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide has a molecular weight of 473.57 g/mol, XLogP of 3.97, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluorophenyl)sulfonylamino]-N-[[1-(5-methylhexyl)triazol-4-yl]methyl]benzamide is sourced from PubChem (CID 70811937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).