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

C16H16Cl2FNO3S — CID 68619182

IUPACN-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H16Cl2FNO3S/c1-23-8-7-20(24(2,21)22)12-4-5-13(15(18)10-12)11-3-6-14(17)16(19)9-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyIRVXWAWFLSSCJI-UHFFFAOYSA-N
MW392.28 g/mol
LogP4.21
Rot. Bonds6

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

N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide (PubChem CID 68619182) has the molecular formula C16H16Cl2FNO3S and a molecular weight of 392.28 g/mol. Its IUPAC name is N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide
PubChem CID68619182
Molecular FormulaC16H16Cl2FNO3S
Molecular Weight392.28 g/mol
Exact Mass391.02
IUPAC NameN-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide
SMILESCOCCN(c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C16H16Cl2FNO3S/c1-23-8-7-20(24(2,21)22)12-4-5-13(15(18)10-12)11-3-6-14(17)16(19)9-11/h3-6,9-10H,7-8H2,1-2H3
InChIKeyIRVXWAWFLSSCJI-UHFFFAOYSA-N
XLogP4.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.28
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-morpholin-4-ylethyl)methanesulfonamide
CID 46190707
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
2-[3-chloro-4-(4-chloro-3-fluorophenyl)-N-methylsulfonylanilino]acetic acid
CID 68618900
2-[3-chloro-4-(3-chloro-4-fluorophenyl)-N-methylsulfonylanilino]acetic acid
CID 68619991
tert-butyl 2-[3-chloro-4-(3-chloro-4-fluorophenyl)-N-methylsulfonylanilino]acetate
CID 68620004
1-Chloro-4-[2-chloro-4-[cyanomethyl(sulfinato)amino]phenyl]-2-fluorobenzene
CID 89072206
N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-piperazin-1-ylethyl)methanesulfonamide
CID 91563055
tert-butyl 2-[3-chloro-N-methylsulfonyl-4-[4-(trifluoromethyl)phenyl]anilino]acetate
CID 140550551
N-[(2-chloro-6-fluorophenyl)methyl]-N-(4-methylphenyl)methanesulfonamide
CID 961845

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide?
The IUPAC name of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide (CID 68619182) is N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide.
What is the SMILES notation for N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide?
The canonical SMILES for N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide is COCCN(c1ccc(-c2ccc(Cl)c(F)c2)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide?
The InChIKey is IRVXWAWFLSSCJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2FNO3S/c1-23-8-7-20(24(2,21)22)12-4-5-13(15(18)10-12)11-3-6-14(17)16(19)9-11/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide?
N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide has a molecular weight of 392.28 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(4-chloro-3-fluorophenyl)phenyl]-N-(2-methoxyethyl)methanesulfonamide is sourced from PubChem (CID 68619182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).