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

C17H21ClN2O2S — CID 112503744

IUPACN-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
SMILESCN(C)C(CNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-20(2)17(15-8-10-16(18)11-9-15)12-19-23(21,22)13-14-6-4-3-5-7-14/h3-11,17,19H,12-13H2,1-2H3
InChIKeyDRSWVRKQLSOGAG-UHFFFAOYSA-N
MW352.89 g/mol
LogP3.06
Rot. Bonds7

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

N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide (PubChem CID 112503744) has the molecular formula C17H21ClN2O2S and a molecular weight of 352.89 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
PubChem CID112503744
Molecular FormulaC17H21ClN2O2S
Molecular Weight352.89 g/mol
Exact Mass352.10
IUPAC NameN-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide
SMILESCN(C)C(CNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H21ClN2O2S/c1-20(2)17(15-8-10-16(18)11-9-15)12-19-23(21,22)13-14-6-4-3-5-7-14/h3-11,17,19H,12-13H2,1-2H3
InChIKeyDRSWVRKQLSOGAG-UHFFFAOYSA-N
XLogP3.06
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.89
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-chlorophenyl)-N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]methanesulfonamide
CID 112503749
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]propane-1-sulfonamide
CID 112503735
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-1-phenylmethanesulfonamide
CID 51249056
1-(4-chlorophenyl)-N-[(2S)-2-(dimethylamino)-2-(furan-2-yl)ethyl]methanesulfonamide
CID 93157738
1-(4-chlorophenyl)-N-(2-phenylpropyl)methanesulfonamide
CID 133229252
N-[(2S)-2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]-2-phenylethanesulfonamide
CID 7497942
N-[2-(dimethylamino)-2-phenylethyl]propane-1-sulfonamide
CID 60648817
N-[2-(diethylamino)-2-(4-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 112503701
N-(2-chloropropyl)-1-phenylmethanesulfonamide
CID 65033175
N-[(2S)-2-(dimethylamino)-2-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-1-phenylmethanesulfonamide
CID 51444985
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
N-[2-(dimethylamino)-2-[4-(dimethylamino)phenyl]ethyl]ethanesulfonamide
CID 43956477

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide (CID 112503744) is N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide is CN(C)C(CNS(=O)(=O)Cc1ccccc1)c1ccc(Cl)cc1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide?
The InChIKey is DRSWVRKQLSOGAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN2O2S/c1-20(2)17(15-8-10-16(18)11-9-15)12-19-23(21,22)13-14-6-4-3-5-7-14/h3-11,17,19H,12-13H2,1-2H3.
What are the key properties of N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide?
N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide has a molecular weight of 352.89 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-(dimethylamino)ethyl]-1-phenylmethanesulfonamide is sourced from PubChem (CID 112503744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).