3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide

C17H18ClFN2O3S — CID 133255242

IUPAC3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
SMILESCN(C(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-21(15-9-7-14(19)8-10-15)17(22)11-16(20-25(2,23)24)12-3-5-13(18)6-4-12/h3-10,16,20H,11H2,1-2H3
InChIKeyLYBNWMWIWGHWRB-UHFFFAOYSA-N
MW384.86 g/mol
LogP3.12
Rot. Bonds6

About 3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide

3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide (PubChem CID 133255242) has the molecular formula C17H18ClFN2O3S and a molecular weight of 384.86 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
PubChem CID133255242
Molecular FormulaC17H18ClFN2O3S
Molecular Weight384.86 g/mol
Exact Mass384.07
IUPAC Name3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
SMILESCN(C(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1)c1ccc(F)cc1
InChIInChI=1S/C17H18ClFN2O3S/c1-21(15-9-7-14(19)8-10-15)17(22)11-16(20-25(2,23)24)12-3-5-13(18)6-4-12/h3-10,16,20H,11H2,1-2H3
InChIKeyLYBNWMWIWGHWRB-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.86
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,3-bis(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255111
3-(4-chlorophenyl)-N-(3,4-dimethylphenyl)-3-(methanesulfonamido)-N-methylpropanamide
CID 133255244
(3S)-N-[(1S)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782864
(3S)-N-[(1R)-1-(4-chlorophenyl)ethyl]-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782863
(3R)-3-(4-chlorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]-3-(methanesulfonamido)propanamide
CID 100783556
(3R)-3-(methanesulfonamido)-3-(4-methoxyphenyl)-N-methyl-N-phenylpropanamide
CID 100784113
(3S)-N-ethyl-3-(4-fluorophenyl)-3-(methanesulfonamido)propanamide
CID 100782888
(3S)-N,N-dibenzyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783863
3-(4-fluorophenyl)-3-(methanesulfonamido)-N-pentan-2-ylpropanamide
CID 133255076
(3S)-N-butyl-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783583
(3S)-3-(4-fluorophenyl)-3-(methanesulfonamido)-N-(4-propan-2-ylphenyl)propanamide
CID 100783011
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylpropyl)propanamide
CID 133255263

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide?
The IUPAC name of 3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide (CID 133255242) is 3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide.
What is the SMILES notation for 3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide?
The canonical SMILES for 3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide is CN(C(=O)CC(NS(C)(=O)=O)c1ccc(Cl)cc1)c1ccc(F)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide?
The InChIKey is LYBNWMWIWGHWRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClFN2O3S/c1-21(15-9-7-14(19)8-10-15)17(22)11-16(20-25(2,23)24)12-3-5-13(18)6-4-12/h3-10,16,20H,11H2,1-2H3.
What are the key properties of 3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide?
3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide has a molecular weight of 384.86 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-N-(4-fluorophenyl)-3-(methanesulfonamido)-N-methylpropanamide is sourced from PubChem (CID 133255242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).