4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

C18H19FN4O3S — CID 137499757

IUPAC4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C18H19FN4O3S/c1-13(24)10-20-27(25,26)17-8-4-15(5-9-17)18-12-23(22-21-18)11-14-2-6-16(19)7-3-14/h2-9,12-13,20,24H,10-11H2,1H3/t13-/m1/s1
InChIKeyXCTQHPWJCDUQLR-CYBMUJFWSA-N
MW390.44 g/mol
LogP1.79
Rot. Bonds7

About 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide

4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (PubChem CID 137499757) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
PubChem CID137499757
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
SMILESC[C@@H](O)CNS(=O)(=O)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C18H19FN4O3S/c1-13(24)10-20-27(25,26)17-8-4-15(5-9-17)18-12-23(22-21-18)11-14-2-6-16(19)7-3-14/h2-9,12-13,20,24H,10-11H2,1H3/t13-/m1/s1
InChIKeyXCTQHPWJCDUQLR-CYBMUJFWSA-N
XLogP1.79
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-N-benzyl-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 59552403
4-[2-[4-(4-Fluorophenyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 71723310
4-[[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]methyl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 155556842
4-[1-[(Z)-4-amino-2-fluorobut-2-enyl]triazol-4-yl]-N,N-dimethylbenzenesulfonamide;hydrochloride
CID 155561434
4-[2-(4-Phenyltriazol-1-yl)ethyl]benzenesulfonamide
CID 71723309
4-[(4-Phenyltriazol-1-yl)methyl]benzenesulfonamide
CID 71723169
4-[[4-(4-Fluorophenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723170
4-[[4-(4-Methylphenyl)triazol-1-yl]methyl]benzenesulfonamide
CID 71723307
4-[2-[4-(4-Methylphenyl)triazol-1-yl]ethyl]benzenesulfonamide
CID 71723312
2-[[4-[1-[(4-Fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide
CID 137499687
4-[2-[(5-fluoro-2-pyridyl)methyl]tetrazol-5-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 137499741
2-[[4-[1-[(4,4-Difluorocyclohexyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide
CID 137499868

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide (CID 137499757) is 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is C[C@@H](O)CNS(=O)(=O)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
The InChIKey is XCTQHPWJCDUQLR-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-13(24)10-20-27(25,26)17-8-4-15(5-9-17)18-12-23(22-21-18)11-14-2-6-16(19)7-3-14/h2-9,12-13,20,24H,10-11H2,1H3/t13-/m1/s1.
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide?
4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide has a molecular weight of 390.44 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide is sourced from PubChem (CID 137499757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).