2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide

C18H16FN3O3S — CID 18146512

IUPAC2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide
SMILESCN(CC(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c1-22(26(24,25)16-8-6-14(19)7-9-16)12-18(23)21-15-10-13-4-2-3-5-17(13)20-11-15/h2-11H,12H2,1H3,(H,21,23)
InChIKeyBLLDOLDLYJKDFP-UHFFFAOYSA-N
MW373.41 g/mol
LogP2.63
Rot. Bonds5

About 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide

2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide (PubChem CID 18146512) has the molecular formula C18H16FN3O3S and a molecular weight of 373.41 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide.

Molecular Properties

Compound Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide
PubChem CID18146512
Molecular FormulaC18H16FN3O3S
Molecular Weight373.41 g/mol
Exact Mass373.09
IUPAC Name2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide
SMILESCN(CC(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16FN3O3S/c1-22(26(24,25)16-8-6-14(19)7-9-16)12-18(23)21-15-10-13-4-2-3-5-17(13)20-11-15/h2-11H,12H2,1H3,(H,21,23)
InChIKeyBLLDOLDLYJKDFP-UHFFFAOYSA-N
XLogP2.63
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1H-benzimidazol-2-yl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 27649348
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-naphthalen-2-ylacetamide
CID 9403525
2-[benzenesulfonyl(methyl)amino]-N-(1-propan-2-ylpyrazolo[3,4-b]pyridin-5-yl)acetamide
CID 46404473
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-(3-methylbenzimidazol-5-yl)acetamide
CID 46975012
N-(2-ethoxyphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 2196369
N-(3-chloro-4-methylphenyl)-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 1319537
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-(3,5-dichlorophenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 45375147
2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
N-(4-ethylphenyl)-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 2202463
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(3-methylsulfanylphenyl)acetamide
CID 2202584

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide?
The IUPAC name of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide (CID 18146512) is 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide.
What is the SMILES notation for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide?
The canonical SMILES for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide is CN(CC(=O)Nc1cnc2ccccc2c1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide?
The InChIKey is BLLDOLDLYJKDFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O3S/c1-22(26(24,25)16-8-6-14(19)7-9-16)12-18(23)21-15-10-13-4-2-3-5-17(13)20-11-15/h2-11H,12H2,1H3,(H,21,23).
What are the key properties of 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide?
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide has a molecular weight of 373.41 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)sulfonyl-methylamino]-N-quinolin-3-ylacetamide is sourced from PubChem (CID 18146512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).