2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide

C18H17FN4O3S — CID 46975008

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(-n2cccn2)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O3S/c1-22(27(25,26)17-8-6-14(19)7-9-17)13-18(24)21-15-4-2-5-16(12-15)23-11-3-10-20-23/h2-12H,13H2,1H3,(H,21,24)
InChIKeyYHYHMNAPCFMWCK-UHFFFAOYSA-N
MW388.42 g/mol
LogP2.27
Rot. Bonds6

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide (PubChem CID 46975008) has the molecular formula C18H17FN4O3S and a molecular weight of 388.42 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
PubChem CID46975008
Molecular FormulaC18H17FN4O3S
Molecular Weight388.42 g/mol
Exact Mass388.10
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
SMILESCN(CC(=O)Nc1cccc(-n2cccn2)c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN4O3S/c1-22(27(25,26)17-8-6-14(19)7-9-17)13-18(24)21-15-4-2-5-16(12-15)23-11-3-10-20-23/h2-12H,13H2,1H3,(H,21,24)
InChIKeyYHYHMNAPCFMWCK-UHFFFAOYSA-N
XLogP2.27
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide
CID 55766018
2-[(4-bromophenyl)sulfonyl-methylamino]-N-(3-fluoro-4-pyrazol-1-ylphenyl)acetamide
CID 55892273
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylbenzimidazol-5-yl)acetamide
CID 46975012
2-[(4-cyanophenyl)sulfonyl-methylamino]-N-[3-(tetrazol-1-yl)phenyl]acetamide
CID 24664110
N-(3-fluorophenyl)-4-[(4-fluorophenyl)sulfonyl-methylamino]butanamide
CID 30845467
3-oxo-3-(3-pyrazol-1-ylanilino)propanoic acid
CID 55049356
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide
CID 18146512
4-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-hydroxyphenyl)butanamide
CID 78791940
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(2-propan-2-ylpyrazol-3-yl)acetamide
CID 78772250
N-(2,3-dihydro-1H-inden-5-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 9495307
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide (CID 46975008) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide is CN(CC(=O)Nc1cccc(-n2cccn2)c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide?
The InChIKey is YHYHMNAPCFMWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN4O3S/c1-22(27(25,26)17-8-6-14(19)7-9-17)13-18(24)21-15-4-2-5-16(12-15)23-11-3-10-20-23/h2-12H,13H2,1H3,(H,21,24).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide has a molecular weight of 388.42 g/mol, XLogP of 2.27, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-pyrazol-1-ylphenyl)acetamide is sourced from PubChem (CID 46975008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).