2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide

C17H16FN5O3S — CID 137499687

IUPAC2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C17H16FN5O3S/c18-14-5-1-12(2-6-14)10-23-11-16(21-22-23)13-3-7-15(8-4-13)27(25,26)20-9-17(19)24/h1-8,11,20H,9-10H2,(H2,19,24)
InChIKeyPUZKNOPYPGRMKB-UHFFFAOYSA-N
MW389.41 g/mol
LogP0.90
Rot. Bonds7

About 2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide

2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide (PubChem CID 137499687) has the molecular formula C17H16FN5O3S and a molecular weight of 389.41 g/mol. Its IUPAC name is 2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide.

Molecular Properties

Compound Name2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide
PubChem CID137499687
Molecular FormulaC17H16FN5O3S
Molecular Weight389.41 g/mol
Exact Mass389.10
IUPAC Name2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide
SMILESNC(=O)CNS(=O)(=O)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1
InChIInChI=1S/C17H16FN5O3S/c18-14-5-1-12(2-6-14)10-23-11-16(21-22-23)13-3-7-15(8-4-13)27(25,26)20-9-17(19)24/h1-8,11,20H,9-10H2,(H2,19,24)
InChIKeyPUZKNOPYPGRMKB-UHFFFAOYSA-N
XLogP0.90
TPSA119.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide?
The IUPAC name of 2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide (CID 137499687) is 2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide.
What is the SMILES notation for 2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide?
The canonical SMILES for 2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide is NC(=O)CNS(=O)(=O)c1ccc(-c2cn(Cc3ccc(F)cc3)nn2)cc1.
What is the InChIKey of 2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide?
The InChIKey is PUZKNOPYPGRMKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O3S/c18-14-5-1-12(2-6-14)10-23-11-16(21-22-23)13-3-7-15(8-4-13)27(25,26)20-9-17(19)24/h1-8,11,20H,9-10H2,(H2,19,24).
What are the key properties of 2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide?
2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide has a molecular weight of 389.41 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[1-[(4-fluorophenyl)methyl]triazol-4-yl]phenyl]sulfonylamino]acetamide is sourced from PubChem (CID 137499687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).