2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide

C16H18ClNO2S — CID 63205325

IUPAC2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1CC(Cl)c1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-2-18-21(19,20)16-11-7-6-10-14(16)12-15(17)13-8-4-3-5-9-13/h3-11,15,18H,2,12H2,1H3
InChIKeyPOCLMGWLWSVGPD-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.51
Rot. Bonds6

About 2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide

2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide (PubChem CID 63205325) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is 2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide
PubChem CID63205325
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC Name2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccccc1CC(Cl)c1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-2-18-21(19,20)16-11-7-6-10-14(16)12-15(17)13-8-4-3-5-9-13/h3-11,15,18H,2,12H2,1H3
InChIKeyPOCLMGWLWSVGPD-UHFFFAOYSA-N
XLogP3.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide
CID 63205435
N-ethyl-2-[3-methyl-2-(propylamino)butyl]benzenesulfonamide
CID 63202001
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
2-(ethylsulfamoyl)benzoic acid
CID 18725198
N-ethyl-2-iodobenzenesulfonamide
CID 626580
2-[2-(ethylsulfamoyl)anilino]propanoic acid
CID 43468803
2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
CID 63202897
N-(2-amino-2-methylpropyl)-2-ethylbenzenesulfonamide;hydrochloride
CID 120711490
N-ethyl-2-hydrazinylbenzenesulfonamide
CID 43454365
N-ethyl-9,10-dioxoanthracene-1-sulfonamide
CID 3256725
N-ethyl-2-(trifluoromethyl)benzenesulfonamide
CID 43212836
3-bromo-2-chloro-N-ethylbenzenesulfonamide
CID 164657063

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide?
The IUPAC name of 2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide (CID 63205325) is 2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide.
What is the SMILES notation for 2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide?
The canonical SMILES for 2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide is CCNS(=O)(=O)c1ccccc1CC(Cl)c1ccccc1.
What is the InChIKey of 2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide?
The InChIKey is POCLMGWLWSVGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-2-18-21(19,20)16-11-7-6-10-14(16)12-15(17)13-8-4-3-5-9-13/h3-11,15,18H,2,12H2,1H3.
What are the key properties of 2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide?
2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-2-phenylethyl)-N-ethylbenzenesulfonamide is sourced from PubChem (CID 63205325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).