3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide

C16H19ClN2O2S — CID 44903192

IUPAC3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H19ClN2O2S/c1-19(2)16(13-7-4-3-5-8-13)12-18-22(20,21)15-10-6-9-14(17)11-15/h3-11,16,18H,12H2,1-2H3
InChIKeyLBLFRRJKJSKFGL-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.92
Rot. Bonds6

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

3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide (PubChem CID 44903192) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
PubChem CID44903192
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide
SMILESCN(C)C(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1
InChIInChI=1S/C16H19ClN2O2S/c1-19(2)16(13-7-4-3-5-8-13)12-18-22(20,21)15-10-6-9-14(17)11-15/h3-11,16,18H,12H2,1-2H3
InChIKeyLBLFRRJKJSKFGL-UHFFFAOYSA-N
XLogP2.92
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.86
LogP ≤ 52.92
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
N-[(2S)-2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 42344702
4-chloro-N-[(2R)-2-(dimethylamino)-2-phenylethyl]-3-(trifluoromethyl)benzenesulfonamide
CID 2468122
6-chloro-N-[2-(dimethylamino)-2-phenylethyl]pyridine-3-sulfonamide
CID 110301918
N-[(2R)-2-(dimethylamino)-2-phenylethyl]-4-methylbenzenesulfonamide
CID 975376
methyl 2-chloro-4-[[(2S)-2-(dimethylamino)-2-phenylethyl]sulfamoyl]benzoate
CID 124573264
N-(2-bromopropyl)-3-chlorobenzenesulfonamide
CID 114295767
3-chloro-N-[2-(4-methylpiperazin-1-yl)-2-phenylethyl]benzenesulfonamide
CID 112503214
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 51169696
4-chloro-N-[(2R)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198403
4-chloro-N-[(2S)-2-(diethylamino)-2-phenylethyl]benzenesulfonamide
CID 2198405
N-[2-(3-chlorophenyl)-2-(dimethylamino)ethyl]-5-methylthiophene-2-sulfonamide
CID 112506789

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide (CID 44903192) is 3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide is CN(C)C(CNS(=O)(=O)c1cccc(Cl)c1)c1ccccc1.
What is the InChIKey of 3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide?
The InChIKey is LBLFRRJKJSKFGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-19(2)16(13-7-4-3-5-8-13)12-18-22(20,21)15-10-6-9-14(17)11-15/h3-11,16,18H,12H2,1-2H3.
What are the key properties of 3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide?
3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide has a molecular weight of 338.86 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(dimethylamino)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 44903192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).