1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide

C17H19Cl2NO3S — CID 28569145

IUPAC1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
SMILESCC[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H19Cl2NO3S/c1-3-17(12-7-9-13(23-2)10-8-12)20-24(21,22)11-14-15(18)5-4-6-16(14)19/h4-10,17,20H,3,11H2,1-2H3/t17-/m0/s1
InChIKeyZOUSLZORCAEKPO-KRWDZBQOSA-N
MW388.32 g/mol
LogP4.57
Rot. Bonds7

About 1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide

1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide (PubChem CID 28569145) has the molecular formula C17H19Cl2NO3S and a molecular weight of 388.32 g/mol. Its IUPAC name is 1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
PubChem CID28569145
Molecular FormulaC17H19Cl2NO3S
Molecular Weight388.32 g/mol
Exact Mass387.05
IUPAC Name1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide
SMILESCC[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(OC)cc1
InChIInChI=1S/C17H19Cl2NO3S/c1-3-17(12-7-9-13(23-2)10-8-12)20-24(21,22)11-14-15(18)5-4-6-16(14)19/h4-10,17,20H,3,11H2,1-2H3/t17-/m0/s1
InChIKeyZOUSLZORCAEKPO-KRWDZBQOSA-N
XLogP4.57
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.32
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[1-(4-methoxyphenyl)propyl]methanesulfonamide
CID 43907995
1-(2-chloro-6-fluorophenyl)-N-[(1R)-1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 94027446
1-(2-chloro-6-fluorophenyl)-N-(1-phenylpropyl)methanesulfonamide
CID 43905570
4-chloro-N-[(1S)-1-(4-methoxyphenyl)propyl]benzenesulfonamide
CID 40753625
1-(2,6-dichlorophenyl)-N-[1-(4-ethylphenyl)ethyl]methanesulfonamide
CID 133161036
1-(3,4-dichlorophenyl)-N-[1-(4-methoxyphenyl)-3-methylbutyl]methanesulfonamide
CID 43886465
1-(2-chloro-6-fluorophenyl)-N-[1-(4-ethoxyphenyl)ethyl]methanesulfonamide
CID 43907196
N-[1-(4-methoxyphenyl)propyl]-1H-pyrazole-4-sulfonamide
CID 61248597
N-[(2,6-dichlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 66241780
2-chloro-N-[1-(4-chlorophenyl)propyl]ethanesulfonamide
CID 107651341
1-(3-chlorophenyl)-N-[(1R)-1-phenylpropyl]methanesulfonamide
CID 92685740
1-methoxy-4-[1-[[methyl(2-methylpropyl)sulfamoyl]amino]propyl]benzene
CID 75472854

Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide?
The IUPAC name of 1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide (CID 28569145) is 1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide.
What is the SMILES notation for 1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide?
The canonical SMILES for 1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide is CC[C@H](NS(=O)(=O)Cc1c(Cl)cccc1Cl)c1ccc(OC)cc1.
What is the InChIKey of 1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide?
The InChIKey is ZOUSLZORCAEKPO-KRWDZBQOSA-N. The full InChI is InChI=1S/C17H19Cl2NO3S/c1-3-17(12-7-9-13(23-2)10-8-12)20-24(21,22)11-14-15(18)5-4-6-16(14)19/h4-10,17,20H,3,11H2,1-2H3/t17-/m0/s1.
What are the key properties of 1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide?
1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide has a molecular weight of 388.32 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dichlorophenyl)-N-[(1S)-1-(4-methoxyphenyl)propyl]methanesulfonamide is sourced from PubChem (CID 28569145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).