N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide

C16H15Cl2FN2O3S — CID 132662529

IUPACN-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H15Cl2FN2O3S/c1-10(16(22)20-12-6-7-14(17)15(18)9-12)21(25(2,23)24)13-5-3-4-11(19)8-13/h3-10H,1-2H3,(H,20,22)
InChIKeyGALWDVOMICKZHO-UHFFFAOYSA-N
MW405.28 g/mol
LogP3.93
Rot. Bonds5

About N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide

N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 132662529) has the molecular formula C16H15Cl2FN2O3S and a molecular weight of 405.28 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID132662529
Molecular FormulaC16H15Cl2FN2O3S
Molecular Weight405.28 g/mol
Exact Mass404.02
IUPAC NameN-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
SMILESCC(C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc(F)c1)S(C)(=O)=O
InChIInChI=1S/C16H15Cl2FN2O3S/c1-10(16(22)20-12-6-7-14(17)15(18)9-12)21(25(2,23)24)13-5-3-4-11(19)8-13/h3-10H,1-2H3,(H,20,22)
InChIKeyGALWDVOMICKZHO-UHFFFAOYSA-N
XLogP3.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.28
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 53288513
N-(3,5-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132662531
(2R)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132716
(2S)-N-(4-ethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132717
N-(3-bromophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 132664773
methyl 3-[[(2S)-2-(3-fluoro-N-methylsulfonylanilino)propanoyl]amino]benzoate
CID 99132598
N-(4-chlorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)propanamide
CID 132666721
(2S)-2-(3,4-difluoro-N-methylsulfonylanilino)-N-(3-fluorophenyl)propanamide
CID 99131905
(2S)-N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 99132583
N-(2,6-dimethylphenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide
CID 53288098
N-(3,4-dichlorophenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 132674088
N-(3-chloro-4-methylphenyl)-2-(3,4-difluoro-N-methylsulfonylanilino)propanamide
CID 132661875

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide (CID 132662529) is N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide is CC(C(=O)Nc1ccc(Cl)c(Cl)c1)N(c1cccc(F)c1)S(C)(=O)=O.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is GALWDVOMICKZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2FN2O3S/c1-10(16(22)20-12-6-7-14(17)15(18)9-12)21(25(2,23)24)13-5-3-4-11(19)8-13/h3-10H,1-2H3,(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide?
N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 405.28 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-(3-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 132662529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).