4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide

C18H19FN4O3S — CID 137499903

IUPAC4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCC(c1ccc(F)cc1)n1cc(-c2ccc(S(=O)(=O)NCCO)cc2)nn1
InChIInChI=1S/C18H19FN4O3S/c1-13(14-2-6-16(19)7-3-14)23-12-18(21-22-23)15-4-8-17(9-5-15)27(25,26)20-10-11-24/h2-9,12-13,20,24H,10-11H2,1H3
InChIKeyKFBCFBWLLUCFCM-UHFFFAOYSA-N
MW390.44 g/mol
LogP1.96
Rot. Bonds7

About 4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide

4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 137499903) has the molecular formula C18H19FN4O3S and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID137499903
Molecular FormulaC18H19FN4O3S
Molecular Weight390.44 g/mol
Exact Mass390.12
IUPAC Name4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESCC(c1ccc(F)cc1)n1cc(-c2ccc(S(=O)(=O)NCCO)cc2)nn1
InChIInChI=1S/C18H19FN4O3S/c1-13(14-2-6-16(19)7-3-14)23-12-18(21-22-23)15-4-8-17(9-5-15)27(25,26)20-10-11-24/h2-9,12-13,20,24H,10-11H2,1H3
InChIKeyKFBCFBWLLUCFCM-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-N-benzyl-3-methyl-2-[4-(4-sulfamoylphenyl)triazol-1-yl]butanamide
CID 59552403
4-(4-(4-fluorophenyl)-1H-1,2,3-triazol-1-yl)benzenesulfonamide
CID 44577804
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-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-[(2R)-2-hydroxypropyl]benzenesulfonamide
CID 137499757

Frequently Asked Questions

What is the IUPAC name of 4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 137499903) is 4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide is CC(c1ccc(F)cc1)n1cc(-c2ccc(S(=O)(=O)NCCO)cc2)nn1.
What is the InChIKey of 4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is KFBCFBWLLUCFCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN4O3S/c1-13(14-2-6-16(19)7-3-14)23-12-18(21-22-23)15-4-8-17(9-5-15)27(25,26)20-10-11-24/h2-9,12-13,20,24H,10-11H2,1H3.
What are the key properties of 4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 390.44 g/mol, XLogP of 1.96, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[1-(4-fluorophenyl)ethyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 137499903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).