N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide

C18H23ClN2O2S — CID 112506792

IUPACN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC(c1cccc(Cl)c1)N(C)C
InChIInChI=1S/C18H23ClN2O2S/c1-14-7-4-5-8-16(14)13-24(22,23)20-12-18(21(2)3)15-9-6-10-17(19)11-15/h4-11,18,20H,12-13H2,1-3H3
InChIKeyGFFBLGHFKXELFC-UHFFFAOYSA-N
MW366.91 g/mol
LogP3.37
Rot. Bonds7

About N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide

N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide (PubChem CID 112506792) has the molecular formula C18H23ClN2O2S and a molecular weight of 366.91 g/mol. Its IUPAC name is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide
PubChem CID112506792
Molecular FormulaC18H23ClN2O2S
Molecular Weight366.91 g/mol
Exact Mass366.12
IUPAC NameN-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide
SMILESCc1ccccc1CS(=O)(=O)NCC(c1cccc(Cl)c1)N(C)C
InChIInChI=1S/C18H23ClN2O2S/c1-14-7-4-5-8-16(14)13-24(22,23)20-12-18(21(2)3)15-9-6-10-17(19)11-15/h4-11,18,20H,12-13H2,1-3H3
InChIKeyGFFBLGHFKXELFC-UHFFFAOYSA-N
XLogP3.37
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.91
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
CID 112506805
1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide
CID 112503749
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
CID 112506789
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
CID 112503744
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 51249056
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344702
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 112506788
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
(1S)-1-(3-chlorophenyl)-N-[(2-methylphenyl)methyl]ethanamine
CID 29276650
1-(3-chlorophenyl)-3-[methyl-[(2-methylphenyl)methyl]amino]propan-1-ol
CID 62623300
1-(2-chlorophenyl)-N-(2-methylpropyl)methanesulfonamide
CID 17257571

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The IUPAC name of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide (CID 112506792) is N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The canonical SMILES for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide is Cc1ccccc1CS(=O)(=O)NCC(c1cccc(Cl)c1)N(C)C.
What is the InChIKey of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide?
The InChIKey is GFFBLGHFKXELFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN2O2S/c1-14-7-4-5-8-16(14)13-24(22,23)20-12-18(21(2)3)15-9-6-10-17(19)11-15/h4-11,18,20H,12-13H2,1-3H3.
What are the key properties of N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide?
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide has a molecular weight of 366.91 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide is sourced from PubChem (CID 112506792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).