3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide

C18H18FN5O3S — CID 167766844

IUPAC3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCS(=O)(=O)NCc1cccc(CNC(=O)c2cnnn2-c2cccc(F)c2)c1
InChIInChI=1S/C18H18FN5O3S/c1-28(26,27)22-11-14-5-2-4-13(8-14)10-20-18(25)17-12-21-23-24(17)16-7-3-6-15(19)9-16/h2-9,12,22H,10-11H2,1H3,(H,20,25)
InChIKeyADCVHJMGPIWWSB-UHFFFAOYSA-N
MW403.44 g/mol
LogP1.39
Rot. Bonds7

About 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide

3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide (PubChem CID 167766844) has the molecular formula C18H18FN5O3S and a molecular weight of 403.44 g/mol. Its IUPAC name is 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide.

Molecular Properties

Compound Name3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide
PubChem CID167766844
Molecular FormulaC18H18FN5O3S
Molecular Weight403.44 g/mol
Exact Mass403.11
IUPAC Name3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide
SMILESCS(=O)(=O)NCc1cccc(CNC(=O)c2cnnn2-c2cccc(F)c2)c1
InChIInChI=1S/C18H18FN5O3S/c1-28(26,27)22-11-14-5-2-4-13(8-14)10-20-18(25)17-12-21-23-24(17)16-7-3-6-15(19)9-16/h2-9,12,22H,10-11H2,1H3,(H,20,25)
InChIKeyADCVHJMGPIWWSB-UHFFFAOYSA-N
XLogP1.39
TPSA105.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide?
The IUPAC name of 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide (CID 167766844) is 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide.
What is the SMILES notation for 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide?
The canonical SMILES for 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide is CS(=O)(=O)NCc1cccc(CNC(=O)c2cnnn2-c2cccc(F)c2)c1.
What is the InChIKey of 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide?
The InChIKey is ADCVHJMGPIWWSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O3S/c1-28(26,27)22-11-14-5-2-4-13(8-14)10-20-18(25)17-12-21-23-24(17)16-7-3-6-15(19)9-16/h2-9,12,22H,10-11H2,1H3,(H,20,25).
What are the key properties of 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide?
3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 1.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenyl)-N-[[3-(methanesulfonamidomethyl)phenyl]methyl]triazole-4-carboxamide is sourced from PubChem (CID 167766844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).