2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide

C16H18Cl2N2O2S — CID 112506805

IUPAC2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H18Cl2N2O2S/c1-20(2)15(12-6-5-7-13(17)10-12)11-19-23(21,22)16-9-4-3-8-14(16)18/h3-10,15,19H,11H2,1-2H3
InChIKeyURNILEBZBYLRCR-UHFFFAOYSA-N
MW373.31 g/mol
LogP3.57
Rot. Bonds6

About 2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide

2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide (PubChem CID 112506805) has the molecular formula C16H18Cl2N2O2S and a molecular weight of 373.31 g/mol. Its IUPAC name is 2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
PubChem CID112506805
Molecular FormulaC16H18Cl2N2O2S
Molecular Weight373.31 g/mol
Exact Mass372.05
IUPAC Name2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1ccccc1Cl)c1cccc(Cl)c1
InChIInChI=1S/C16H18Cl2N2O2S/c1-20(2)15(12-6-5-7-13(17)10-12)11-19-23(21,22)16-9-4-3-8-14(16)18/h3-10,15,19H,11H2,1-2H3
InChIKeyURNILEBZBYLRCR-UHFFFAOYSA-N
XLogP3.57
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.31
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
CID 44903192
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,5-dimethoxybenzenesulfonamide
CID 112506788
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
CID 112506789
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 112506792
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344702
N-[(2S)-2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2-phenylbenzenesulfonamide
CID 39982559
2-chloro-N-[(2S)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832456
2-chloro-N-[(2R)-3-hydroxy-2-methylpropyl]benzenesulfonamide
CID 96832457
N-[2-(dimethylamino)-2-(3-fluorophenyl)ethyl]-2,4-difluorobenzenesulfonamide
CID 47006077
2-chloro-N-[2-(2-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylsulfonylbenzenesulfonamide
CID 55598328
2-chloro-N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 110663435
2,5-dichloro-N-[(2S)-2-(dimethylamino)propyl]benzenesulfonamide
CID 34132352

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The IUPAC name of 2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide (CID 112506805) is 2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide.
What is the SMILES notation for 2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The canonical SMILES for 2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide is CN(C)C(CNS(=O)(=O)c1ccccc1Cl)c1cccc(Cl)c1.
What is the InChIKey of 2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
The InChIKey is URNILEBZBYLRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N2O2S/c1-20(2)15(12-6-5-7-13(17)10-12)11-19-23(21,22)16-9-4-3-8-14(16)18/h3-10,15,19H,11H2,1-2H3.
What are the key properties of 2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide?
2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide has a molecular weight of 373.31 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]benzenesulfonamide is sourced from PubChem (CID 112506805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).