2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide

C21H22FN5O3S — CID 110260366

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C2CCc3nncn3C2)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H22FN5O3S/c1-26(31(29,30)19-8-6-17(22)7-9-19)13-21(28)24-18-4-2-3-15(11-18)16-5-10-20-25-23-14-27(20)12-16/h2-4,6-9,11,14,16H,5,10,12-13H2,1H3,(H,24,28)
InChIKeyZFBAOPUQUBHJSI-UHFFFAOYSA-N
MW443.50 g/mol
LogP2.41
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide (PubChem CID 110260366) has the molecular formula C21H22FN5O3S and a molecular weight of 443.50 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide
PubChem CID110260366
Molecular FormulaC21H22FN5O3S
Molecular Weight443.50 g/mol
Exact Mass443.14
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide
SMILESCN(CC(=O)Nc1cccc(C2CCc3nncn3C2)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C21H22FN5O3S/c1-26(31(29,30)19-8-6-17(22)7-9-19)13-21(28)24-18-4-2-3-15(11-18)16-5-10-20-25-23-14-27(20)12-16/h2-4,6-9,11,14,16H,5,10,12-13H2,1H3,(H,24,28)
InChIKeyZFBAOPUQUBHJSI-UHFFFAOYSA-N
XLogP2.41
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.50
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 46975008
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9495307
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[3-(1,3-dithian-2-yl)phenyl]acetamide
CID 27842609
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylbenzimidazol-5-yl)acetamide
CID 46975012
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N-(3-fluorophenyl)acetamide
CID 26942310
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[3-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-yl)phenyl]acetamide
CID 38950281
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide
CID 18146512
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-(3-fluorophenyl)acetamide
CID 45372456
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 55766018
N-(3-cyclopentyloxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 38405959

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide (CID 110260366) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide is CN(CC(=O)Nc1cccc(C2CCc3nncn3C2)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide?
The InChIKey is ZFBAOPUQUBHJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O3S/c1-26(31(29,30)19-8-6-17(22)7-9-19)13-21(28)24-18-4-2-3-15(11-18)16-5-10-20-25-23-14-27(20)12-16/h2-4,6-9,11,14,16H,5,10,12-13H2,1H3,(H,24,28).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide has a molecular weight of 443.50 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)phenyl]acetamide is sourced from PubChem (CID 110260366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).