N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

C17H17Cl2FN2O3S — CID 11270075

IUPACN-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cl)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H17Cl2FN2O3S/c1-10(12-4-6-16(15(20)8-12)22-26(2,24)25)17(23)21-9-11-3-5-13(18)14(19)7-11/h3-8,10,22H,9H2,1-2H3,(H,21,23)
InChIKeyJIQONNXVXZOTSM-UHFFFAOYSA-N
MW419.31 g/mol
LogP3.92
Rot. Bonds6

About N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide

N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (PubChem CID 11270075) has the molecular formula C17H17Cl2FN2O3S and a molecular weight of 419.31 g/mol. Its IUPAC name is N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.

Molecular Properties

Compound NameN-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
PubChem CID11270075
Molecular FormulaC17H17Cl2FN2O3S
Molecular Weight419.31 g/mol
Exact Mass418.03
IUPAC NameN-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
SMILESCC(C(=O)NCc1ccc(Cl)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1
InChIInChI=1S/C17H17Cl2FN2O3S/c1-10(12-4-6-16(15(20)8-12)22-26(2,24)25)17(23)21-9-11-3-5-13(18)14(19)7-11/h3-8,10,22H,9H2,1-2H3,(H,21,23)
InChIKeyJIQONNXVXZOTSM-UHFFFAOYSA-N
XLogP3.92
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.31
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[2-(3-chloro-4-fluorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 16225649
N-[[2-(3-chlorophenyl)-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 58873748
N-[3-(4-chlorophenyl)propyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11292857
N-[(4-chlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 11303670
N-[(4-tert-butylphenyl)methyl]-2-[3-chloro-4-(methanesulfonamido)phenyl]propanamide
CID 11339228
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-propan-2-ylphenyl)methyl]propanamide
CID 11452156
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[(4-methylphenyl)methyl]propanamide
CID 11462663
N-[3-(3,4-dichloroanilino)propyl]-3-[4-(methanesulfonamido)phenyl]propanamide
CID 46227072
N-(2-(3,4-Dichlorophenylamino)ethyl)-3-(4-(methylsulfonamido)phenyl)propanamide
CID 46227092
N-(3,4-Dichlorocinnamyl)-3-(4-(methylsulfonamido)-phenyl)propanamide
CID 46227102
N-[(E)-3-(4-chlorophenyl)prop-2-enyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 57401816
N-[[2-chloro-4-(trifluoromethyl)phenyl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
CID 67441643

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The IUPAC name of N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide (CID 11270075) is N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide.
What is the SMILES notation for N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The canonical SMILES for N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is CC(C(=O)NCc1ccc(Cl)c(Cl)c1)c1ccc(NS(C)(=O)=O)c(F)c1.
What is the InChIKey of N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
The InChIKey is JIQONNXVXZOTSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2FN2O3S/c1-10(12-4-6-16(15(20)8-12)22-26(2,24)25)17(23)21-9-11-3-5-13(18)14(19)7-11/h3-8,10,22H,9H2,1-2H3,(H,21,23).
What are the key properties of N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide?
N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide has a molecular weight of 419.31 g/mol, XLogP of 3.92, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dichlorophenyl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide is sourced from PubChem (CID 11270075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).