2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide

C17H19FN2O3S — CID 4258706

IUPAC2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-13(2)19-17(21)12-20(15-6-4-3-5-7-15)24(22,23)16-10-8-14(18)9-11-16/h3-11,13H,12H2,1-2H3,(H,19,21)
InChIKeyDXSMHALJVQXMNQ-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.55
Rot. Bonds6

About 2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide

2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide (PubChem CID 4258706) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
PubChem CID4258706
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide
SMILESCC(C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C17H19FN2O3S/c1-13(2)19-17(21)12-20(15-6-4-3-5-7-15)24(22,23)16-10-8-14(18)9-11-16/h3-11,13H,12H2,1-2H3,(H,19,21)
InChIKeyDXSMHALJVQXMNQ-UHFFFAOYSA-N
XLogP2.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 3371561
2-[N-(benzenesulfonyl)-4-fluoroanilino]-N-(1-phenylethyl)acetamide
CID 2888862
2-(N-(4-fluorophenyl)sulfonyl-4-methylanilino)-N-[(1S)-1-phenylethyl]acetamide
CID 2262069
2-[N-(benzenesulfonyl)-4-methylanilino]-N-propan-2-ylacetamide
CID 2248872
N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 133188780
2-(N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]acetamide
CID 43898723
N-(4-fluorophenyl)-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 2973617
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propan-2-ylacetamide
CID 51345314
N-benzyl-2-(N-(4-fluorophenyl)sulfonylanilino)acetamide
CID 4240741
2-(N-(4-fluorophenyl)sulfonylanilino)-N-(2-propan-2-yloxyphenyl)acetamide
CID 53280099
2-(4-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[(1S)-3-methyl-1-phenylbutyl]acetamide
CID 92675322
2-(4-fluoro-N-(4-fluorophenyl)sulfonylanilino)-N-[1-(4-methylphenyl)ethyl]acetamide
CID 43900377

Frequently Asked Questions

What is the IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide?
The IUPAC name of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide (CID 4258706) is 2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide.
What is the SMILES notation for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide?
The canonical SMILES for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide is CC(C)NC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide?
The InChIKey is DXSMHALJVQXMNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-13(2)19-17(21)12-20(15-6-4-3-5-7-15)24(22,23)16-10-8-14(18)9-11-16/h3-11,13H,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide?
2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide has a molecular weight of 350.42 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-(4-fluorophenyl)sulfonylanilino)-N-propan-2-ylacetamide is sourced from PubChem (CID 4258706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).