3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

C17H19FN2O3S — CID 17192146

IUPAC3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-13-2-4-14(5-3-13)12-19-17(21)10-11-20-24(22,23)16-8-6-15(18)7-9-16/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyNZSHYSBJLRAEHS-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.12
Rot. Bonds7

About 3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide

3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (PubChem CID 17192146) has the molecular formula C17H19FN2O3S and a molecular weight of 350.42 g/mol. Its IUPAC name is 3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
PubChem CID17192146
Molecular FormulaC17H19FN2O3S
Molecular Weight350.42 g/mol
Exact Mass350.11
IUPAC Name3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
SMILESCc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C17H19FN2O3S/c1-13-2-4-14(5-3-13)12-19-17(21)10-11-20-24(22,23)16-8-6-15(18)7-9-16/h2-9,20H,10-12H2,1H3,(H,19,21)
InChIKeyNZSHYSBJLRAEHS-UHFFFAOYSA-N
XLogP2.12
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[4-[(dimethylamino)methyl]phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 31544702
N-[[4-(4-fluorophenoxy)phenyl]methyl]-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 24644960
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
3-[(4-acetylphenyl)sulfonylamino]-N-[[4-(4-fluorophenoxy)phenyl]methyl]propanamide
CID 25403468
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
4-[(4-fluorophenyl)sulfonylamino]-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]butanamide
CID 24644992
3-[(4-methylphenyl)sulfonylamino]-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 8545586
3-[(4-fluorophenyl)sulfonylamino]-N-[[4-(4-methylpiperazine-1-carbonyl)phenyl]methyl]propanamide
CID 55708983
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192613
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
N-[(4-methylphenyl)methyl]-2-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]benzamide
CID 17154248
N-[2-[2-[2-(4-fluorophenyl)acetyl]hydrazinyl]-2-oxoethyl]-4-methylbenzenesulfonamide
CID 71696139

Frequently Asked Questions

What is the IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The IUPAC name of 3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide (CID 17192146) is 3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide.
What is the SMILES notation for 3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The canonical SMILES for 3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is Cc1ccc(CNC(=O)CCNS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
The InChIKey is NZSHYSBJLRAEHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN2O3S/c1-13-2-4-14(5-3-13)12-19-17(21)10-11-20-24(22,23)16-8-6-15(18)7-9-16/h2-9,20H,10-12H2,1H3,(H,19,21).
What are the key properties of 3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide?
3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide has a molecular weight of 350.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-fluorophenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide is sourced from PubChem (CID 17192146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).