N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide

C16H15ClF2N2O3S — CID 113143620

IUPACN-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15ClF2N2O3S/c1-25(23,24)21(13-5-2-11(18)3-6-13)9-8-16(22)20-12-4-7-15(19)14(17)10-12/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyNKGFSCAMVZPWSN-UHFFFAOYSA-N
MW388.82 g/mol
LogP3.41
Rot. Bonds6

About N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide

N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide (PubChem CID 113143620) has the molecular formula C16H15ClF2N2O3S and a molecular weight of 388.82 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
PubChem CID113143620
Molecular FormulaC16H15ClF2N2O3S
Molecular Weight388.82 g/mol
Exact Mass388.05
IUPAC NameN-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
SMILESCS(=O)(=O)N(CCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1
InChIInChI=1S/C16H15ClF2N2O3S/c1-25(23,24)21(13-5-2-11(18)3-6-13)9-8-16(22)20-12-4-7-15(19)14(17)10-12/h2-7,10H,8-9H2,1H3,(H,20,22)
InChIKeyNKGFSCAMVZPWSN-UHFFFAOYSA-N
XLogP3.41
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.82
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide
CID 113143636
3-(4-chloro-N-methylsulfonylanilino)-N-(3,4-dimethylphenyl)propanamide
CID 113143922
N-(3-chloro-4-fluorophenyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136167
4-(4-chloro-N-methylsulfonylanilino)-N-(3-fluorophenyl)butanamide
CID 53285560
N-(4-bromo-3-chlorophenyl)-4-(3,4-difluoro-N-methylsulfonylanilino)butanamide
CID 100544170
N-(3-chloro-4-fluorophenyl)-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 1290563
3-(4-chloro-N-methylsulfonylanilino)-N-(4-ethylphenyl)propanamide
CID 113143927
ethyl 2-chloro-5-[4-(4-fluoro-N-methylsulfonylanilino)butanoylamino]benzoate
CID 92675030
N-(3-acetylphenyl)-3-(4-chloro-N-methylsulfonylanilino)propanamide
CID 113143944
N-(4-bromo-3-chlorophenyl)-2-(4-fluoro-N-methylsulfonylanilino)acetamide
CID 2210102
N-(3,4-difluorophenyl)-3-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 113144923
N-(3-chloro-4-fluorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137731

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide (CID 113143620) is N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide is CS(=O)(=O)N(CCC(=O)Nc1ccc(F)c(Cl)c1)c1ccc(F)cc1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
The InChIKey is NKGFSCAMVZPWSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClF2N2O3S/c1-25(23,24)21(13-5-2-11(18)3-6-13)9-8-16(22)20-12-4-7-15(19)14(17)10-12/h2-7,10H,8-9H2,1H3,(H,20,22).
What are the key properties of N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide?
N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide has a molecular weight of 388.82 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-3-(4-fluoro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113143620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).