2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide

C15H16ClNO2S — CID 63205435

IUPAC2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1CC(Cl)c1ccccc1
InChIInChI=1S/C15H16ClNO2S/c1-17-20(18,19)15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3
InChIKeyRWMIENQWXCHUJS-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.12
Rot. Bonds5

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

2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide (PubChem CID 63205435) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide
PubChem CID63205435
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccccc1CC(Cl)c1ccccc1
InChIInChI=1S/C15H16ClNO2S/c1-17-20(18,19)15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3
InChIKeyRWMIENQWXCHUJS-UHFFFAOYSA-N
XLogP3.12
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.12
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-ethylbenzenesulfonamide
CID 63205325
2-(2-amino-3-methylbutyl)-N-methylbenzenesulfonamide
CID 63197585
2-(2-hydroxyethyl)-N-methylbenzenesulfonamide
CID 67449324
N-methyl-2-(3-methyl-2-oxobutyl)benzenesulfonamide
CID 63199232
1-(2-chloro-2-phenylethyl)-2-methylbenzene
CID 13075090
2-[[2-(methylsulfamoyl)phenyl]methyl]prop-2-enoic acid
CID 66674640
2-dodecyl-N-methylbenzenesulfonamide
CID 154206343
2-(2-chloropentyl)-N-propan-2-ylbenzenesulfonamide
CID 63202897
1-(2-bromo-2-phenylethyl)-2-methylsulfonylbenzene
CID 55162418
N-methyl-2-[[[(1S)-1-(5-methylthiophen-2-yl)ethyl]amino]methyl]benzenesulfonamide
CID 97231696
2-tert-butyl-N-methylbenzenesulfonamide
CID 118909876
2-bromo-N-methylbenzenesulfonamide
CID 850141

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide?
The IUPAC name of 2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide (CID 63205435) is 2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccccc1CC(Cl)c1ccccc1.
What is the InChIKey of 2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide?
The InChIKey is RWMIENQWXCHUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-17-20(18,19)15-10-6-5-9-13(15)11-14(16)12-7-3-2-4-8-12/h2-10,14,17H,11H2,1H3.
What are the key properties of 2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide?
2-(2-chloro-2-phenylethyl)-N-methylbenzenesulfonamide has a molecular weight of 309.82 g/mol, XLogP of 3.12, 5 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-methylbenzenesulfonamide is sourced from PubChem (CID 63205435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).