N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide

C16H16ClFN2O3S — CID 3994624

IUPACN-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O3S/c1-11(16(21)19-10-12-2-4-13(17)5-3-12)20-24(22,23)15-8-6-14(18)7-9-15/h2-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyZNIMCRLLPALBDK-UHFFFAOYSA-N
MW370.83 g/mol
LogP2.46
Rot. Bonds6

About N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide

N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 3994624) has the molecular formula C16H16ClFN2O3S and a molecular weight of 370.83 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID3994624
Molecular FormulaC16H16ClFN2O3S
Molecular Weight370.83 g/mol
Exact Mass370.06
IUPAC NameN-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESCC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H16ClFN2O3S/c1-11(16(21)19-10-12-2-4-13(17)5-3-12)20-24(22,23)15-8-6-14(18)7-9-15/h2-9,11,20H,10H2,1H3,(H,19,21)
InChIKeyZNIMCRLLPALBDK-UHFFFAOYSA-N
XLogP2.46
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.83
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 27256778
N-[(4-chlorophenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 2947130
2-[(4-ethoxyphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 43872766
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(3,4-dimethoxyphenyl)methyl]propanamide
CID 27647424
(2R)-N-ethyl-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 51424939
(2S)-2-[(4-fluorophenyl)sulfonylamino]-N-(2-methylpropyl)propanamide
CID 27539669
N-(2-aminoethyl)-2-[(4-chlorophenyl)sulfonylamino]propanamide
CID 119383880
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30403950
3-[2-[(4-chlorophenyl)sulfonylamino]propanoylamino]-2-methylpropanoic acid
CID 119237146
(2R)-2-[(4-chlorophenyl)sulfonylamino]-N-(2,5-difluorophenyl)propanamide
CID 28549159
2-[(4-chlorophenyl)sulfonylamino]-N-[2-(ethylamino)ethyl]propanamide
CID 119507175

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide (CID 3994624) is N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide is CC(NS(=O)(=O)c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is ZNIMCRLLPALBDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClFN2O3S/c1-11(16(21)19-10-12-2-4-13(17)5-3-12)20-24(22,23)15-8-6-14(18)7-9-15/h2-9,11,20H,10H2,1H3,(H,19,21).
What are the key properties of N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide?
N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 370.83 g/mol, XLogP of 2.46, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-2-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 3994624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).