4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide

C16H19ClN2O2S — CID 16890429

IUPAC4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-19(2)15-7-3-13(4-8-15)11-12-18-22(20,21)16-9-5-14(17)6-10-16/h3-10,18H,11-12H2,1-2H3
InChIKeySLBOSLUOYOXCOG-UHFFFAOYSA-N
MW338.86 g/mol
LogP2.93
Rot. Bonds6

About 4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide

4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide (PubChem CID 16890429) has the molecular formula C16H19ClN2O2S and a molecular weight of 338.86 g/mol. Its IUPAC name is 4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
PubChem CID16890429
Molecular FormulaC16H19ClN2O2S
Molecular Weight338.86 g/mol
Exact Mass338.09
IUPAC Name4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide
SMILESCN(C)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C16H19ClN2O2S/c1-19(2)15-7-3-13(4-8-15)11-12-18-22(20,21)16-9-5-14(17)6-10-16/h3-10,18H,11-12H2,1-2H3
InChIKeySLBOSLUOYOXCOG-UHFFFAOYSA-N
XLogP2.93
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 ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-4-(methylamino)benzenesulfonamide
CID 61380567
4-chloro-N-[2-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 3749780
N-[2-[4-(dimethylamino)phenyl]ethyl]-4-phenylbenzenesulfonamide
CID 16890478
4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]benzenesulfonyl chloride
CID 15166823
N-[3-[4-(dimethylamino)phenyl]propyl]-4-ethylbenzenesulfonamide
CID 16890812
N-[2-[4-(dimethylamino)phenyl]ethyl]-3-fluoro-4-methoxybenzenesulfonamide
CID 16890439
3-[4-[2-[(4-chlorophenyl)sulfonylamino]ethyl]phenyl]propanoic acid
CID 19388113
acetonitrile;4-chloro-N-(2-phenylethyl)benzenesulfonamide;hydrate
CID 174293454
N-[3-[4-(dimethylamino)phenyl]propyl]-4-fluoro-3-methylbenzenesulfonamide
CID 16890857
N-[2-[4-(dimethylamino)phenyl]ethyl]-2-fluorobenzenesulfonamide
CID 16890415
N-[2-[4-(dimethylamino)phenyl]ethyl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 52858164
4-bromo-N-[2-(4-chlorophenyl)ethyl]-3-methylbenzenesulfonamide
CID 60640413

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of 4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide (CID 16890429) is 4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide is CN(C)c1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of 4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide?
The InChIKey is SLBOSLUOYOXCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN2O2S/c1-19(2)15-7-3-13(4-8-15)11-12-18-22(20,21)16-9-5-14(17)6-10-16/h3-10,18H,11-12H2,1-2H3.
What are the key properties of 4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide?
4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide has a molecular weight of 338.86 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[4-(dimethylamino)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 16890429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).