1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide

C17H20Cl2N2O2S — CID 112503749

IUPAC1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide
SMILESCN(C)C(CNS(=O)(=O)Cc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2N2O2S/c1-21(2)17(13-7-9-15(18)10-8-13)11-20-24(22,23)12-14-5-3-4-6-16(14)19/h3-10,17,20H,11-12H2,1-2H3
InChIKeyDDUOIAYJTJJTSF-UHFFFAOYSA-N
MW387.33 g/mol
LogP3.72
Rot. Bonds7

About 1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide

1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide (PubChem CID 112503749) has the molecular formula C17H20Cl2N2O2S and a molecular weight of 387.33 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide
PubChem CID112503749
Molecular FormulaC17H20Cl2N2O2S
Molecular Weight387.33 g/mol
Exact Mass386.06
IUPAC Name1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide
SMILESCN(C)C(CNS(=O)(=O)Cc1ccccc1Cl)c1ccc(Cl)cc1
InChIInChI=1S/C17H20Cl2N2O2S/c1-21(2)17(13-7-9-15(18)10-8-13)11-20-24(22,23)12-14-5-3-4-6-16(14)19/h3-10,17,20H,11-12H2,1-2H3
InChIKeyDDUOIAYJTJJTSF-UHFFFAOYSA-N
XLogP3.72
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
CID 112503735
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 112506792
1-(2-chlorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824558
N-(2-amino-2-phenylethyl)-1-(2-chlorophenyl)methanesulfonamide;hydrochloride
CID 84591502
1-(2-chlorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 92673614
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]prop-2-yne-1-sulfonamide
CID 7497946
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
CID 43956477
1-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]methanesulfonamide
CID 93157738
1-(2-chlorophenyl)-N-(3-hydroxybutyl)methanesulfonamide
CID 111977012

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide?
The IUPAC name of 1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide (CID 112503749) is 1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide.
What is the SMILES notation for 1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide?
The canonical SMILES for 1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide is CN(C)C(CNS(=O)(=O)Cc1ccccc1Cl)c1ccc(Cl)cc1.
What is the InChIKey of 1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide?
The InChIKey is DDUOIAYJTJJTSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20Cl2N2O2S/c1-21(2)17(13-7-9-15(18)10-8-13)11-20-24(22,23)12-14-5-3-4-6-16(14)19/h3-10,17,20H,11-12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide?
1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide has a molecular weight of 387.33 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide is sourced from PubChem (CID 112503749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).