4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide

C21H24FN5O3S — CID 118145107

IUPAC4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide
SMILESCCCCCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C21H24FN5O3S/c1-2-3-4-13-27-15-19(24-26-27)14-23-21(28)16-5-9-18(10-6-16)25-31(29,30)20-11-7-17(22)8-12-20/h5-12,15,25H,2-4,13-14H2,1H3,(H,23,28)
InChIKeyLKCDIOSBBNVEBA-UHFFFAOYSA-N
MW445.52 g/mol
LogP3.34
Rot. Bonds10

About 4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide

4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide (PubChem CID 118145107) has the molecular formula C21H24FN5O3S and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide
PubChem CID118145107
Molecular FormulaC21H24FN5O3S
Molecular Weight445.52 g/mol
Exact Mass445.16
IUPAC Name4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide
SMILESCCCCCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nn1
InChIInChI=1S/C21H24FN5O3S/c1-2-3-4-13-27-15-19(24-26-27)14-23-21(28)16-5-9-18(10-6-16)25-31(29,30)20-11-7-17(22)8-12-20/h5-12,15,25H,2-4,13-14H2,1H3,(H,23,28)
InChIKeyLKCDIOSBBNVEBA-UHFFFAOYSA-N
XLogP3.34
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 53.34
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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Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide?
The IUPAC name of 4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide (CID 118145107) is 4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide.
What is the SMILES notation for 4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide?
The canonical SMILES for 4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide is CCCCCn1cc(CNC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)nn1.
What is the InChIKey of 4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide?
The InChIKey is LKCDIOSBBNVEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O3S/c1-2-3-4-13-27-15-19(24-26-27)14-23-21(28)16-5-9-18(10-6-16)25-31(29,30)20-11-7-17(22)8-12-20/h5-12,15,25H,2-4,13-14H2,1H3,(H,23,28).
What are the key properties of 4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide?
4-[(4-fluorophenyl)sulfonylamino]-N-[(1-pentyltriazol-4-yl)methyl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 3.34, 10 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-pentyltriazol-4-yl)methyl]benzamide is sourced from PubChem (CID 118145107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).