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

C17H17FN4O3S — CID 137499902

IUPAC4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C17H17FN4O3S/c18-15-5-1-13(2-6-15)11-22-12-17(20-21-22)14-3-7-16(8-4-14)26(24,25)19-9-10-23/h1-8,12,19,23H,9-11H2
InChIKeySBDRCPULIXTRBE-UHFFFAOYSA-N
MW376.41 g/mol
LogP1.40
Rot. Bonds7

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

4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide (PubChem CID 137499902) has the molecular formula C17H17FN4O3S and a molecular weight of 376.41 g/mol. Its IUPAC name is 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide
PubChem CID137499902
Molecular FormulaC17H17FN4O3S
Molecular Weight376.41 g/mol
Exact Mass376.10
IUPAC Name4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide
SMILESO=S(=O)(NCCO)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C17H17FN4O3S/c18-15-5-1-13(2-6-15)11-22-12-17(20-21-22)14-3-7-16(8-4-14)26(24,25)19-9-10-23/h1-8,12,19,23H,9-11H2
InChIKeySBDRCPULIXTRBE-UHFFFAOYSA-N
XLogP1.40
TPSA97.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 51.40
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
N-(2-phenylethyl)-4-(4-phenyltriazol-1-yl)benzenesulfonamide
CID 73350882
2-[[4-[1-[(4-Fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide
CID 137499687

Frequently Asked Questions

What is the IUPAC name of 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The IUPAC name of 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide (CID 137499902) is 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide.
What is the SMILES notation for 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The canonical SMILES for 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide is O=S(=O)(NCCO)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
The InChIKey is SBDRCPULIXTRBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O3S/c18-15-5-1-13(2-6-15)11-22-12-17(20-21-22)14-3-7-16(8-4-14)26(24,25)19-9-10-23/h1-8,12,19,23H,9-11H2.
What are the key properties of 4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide?
4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]-N-(2-hydroxyethyl)benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 1.40, 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-(2-hydroxyethyl)benzenesulfonamide is sourced from PubChem (CID 137499902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).