N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide

C19H21Cl2FN2O3S — CID 46190707

IUPACN-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CCOCC1)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1
InChIInChI=1S/C19H21Cl2FN2O3S/c1-28(25,26)24(7-6-23-8-10-27-11-9-23)15-3-4-16(18(21)13-15)14-2-5-17(20)19(22)12-14/h2-5,12-13H,6-11H2,1H3
InChIKeyVNJSENUFVVBTTC-UHFFFAOYSA-N
MW447.36 g/mol
LogP3.90
Rot. Bonds6

About N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide

N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide (PubChem CID 46190707) has the molecular formula C19H21Cl2FN2O3S and a molecular weight of 447.36 g/mol. Its IUPAC name is N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
PubChem CID46190707
Molecular FormulaC19H21Cl2FN2O3S
Molecular Weight447.36 g/mol
Exact Mass446.06
IUPAC NameN-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
SMILESCS(=O)(=O)N(CCN1CCOCC1)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1
InChIInChI=1S/C19H21Cl2FN2O3S/c1-28(25,26)24(7-6-23-8-10-27-11-9-23)15-3-4-16(18(21)13-15)14-2-5-17(20)19(22)12-14/h2-5,12-13H,6-11H2,1H3
InChIKeyVNJSENUFVVBTTC-UHFFFAOYSA-N
XLogP3.90
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.36
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-((4-(3-Chloro-4-methylphenyl)piperazin-1-yl)sulfonyl)morpholine
CID 991662
N-(3-chloro-4-methylphenyl)-N-{2-[4-(2-fluorophenyl)-1-piperazinyl]-2-oxoethyl}methanesulfonamide
CID 1312767
N-(3-chloro-4-methylphenyl)-N-{2-[4-(4-fluorophenyl)piperazin-1-yl]-2-oxoethyl}methanesulfonamide
CID 1321162
4-[3-chloro-2-[[(3S)-3-methyl-4-methylsulfonylpiperazin-1-yl]methyl]phenyl]morpholine
CID 136582326
N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-piperidin-1-ylethyl)methanesulfonamide
CID 46190708
ethyl 2-[3-chloro-4-(4-chloro-3-fluorophenyl)-N-methylsulfonylanilino]acetate
CID 46190777
N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(cyanomethyl)methanesulfonamide
CID 59313656
N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-[2-(4-methylpiperazin-1-yl)ethyl]methanesulfonamide
CID 68617965
N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide
CID 68619182
N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 91563055
4-chloro-2-fluoro-N-methyl-N-[(4-morpholin-4-ylphenyl)methyl]benzenesulfonamide
CID 17505244
1-(2-chloro-6-fluorophenyl)-N-[4-(morpholin-4-yl)benzyl]methanesulfonamide
CID 17644952

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The IUPAC name of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide (CID 46190707) is N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The canonical SMILES for N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide is CS(=O)(=O)N(CCN1CCOCC1)c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1.
What is the InChIKey of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
The InChIKey is VNJSENUFVVBTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2FN2O3S/c1-28(25,26)24(7-6-23-8-10-27-11-9-23)15-3-4-16(18(21)13-15)14-2-5-17(20)19(22)12-14/h2-5,12-13H,6-11H2,1H3.
What are the key properties of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide?
N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide has a molecular weight of 447.36 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide is sourced from PubChem (CID 46190707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).