2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine

C15H16ClNO2S — CID 64640001

IUPAC2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
SMILESCNC(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H16ClNO2S/c1-17-15(12-5-3-2-4-6-12)11-20(18,19)14-9-7-13(16)8-10-14/h2-10,15,17H,11H2,1H3
InChIKeyHCBBYARPNPSFPF-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.07
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine

2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine (PubChem CID 64640001) has the molecular formula C15H16ClNO2S and a molecular weight of 309.82 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
PubChem CID64640001
Molecular FormulaC15H16ClNO2S
Molecular Weight309.82 g/mol
Exact Mass309.06
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
SMILESCNC(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C15H16ClNO2S/c1-17-15(12-5-3-2-4-6-12)11-20(18,19)14-9-7-13(16)8-10-14/h2-10,15,17H,11H2,1H3
InChIKeyHCBBYARPNPSFPF-UHFFFAOYSA-N
XLogP3.07
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,6-dichlorophenyl)sulfonyl-N-methyl-1-phenylethanamine
CID 64674939
2-(benzenesulfonyl)-1-(3-methoxyphenyl)-N-methylethanamine
CID 62917727
N-methyl-2-(3-methylbutan-2-ylsulfonyl)-1-phenylethanamine
CID 107759066
N-methyl-2-(4-methylsulfonylphenyl)-1-phenylethanamine
CID 63199908
(2R)-1-(4-chlorophenyl)sulfonylpropan-2-ol
CID 131862935
4-chloro-N-[(2R)-2-phenyl-2-(2-phenylhydrazinyl)ethyl]benzenesulfonamide
CID 51567307
4-chloro-N-[1-(4-chlorophenyl)propyl]benzenesulfonamide
CID 17191083
3-[(4-chlorophenyl)sulfonylamino]-N-[(1S)-2-(dimethylamino)-1-phenylethyl]propanamide
CID 8937587
2-(4-chlorophenyl)sulfonyl-1-(3-methylphenyl)ethanol
CID 106584901
2-[2-(methylamino)-2-phenylethyl]sulfonylacetamide
CID 114231977
3-(4-chlorophenyl)sulfonyl-N-[(2S)-2-phenylpropyl]propanamide
CID 9302484
3-(4-chlorophenyl)sulfonyl-N-[(2R)-2-phenylpropyl]propanamide
CID 9302482

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine (CID 64640001) is 2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine is CNC(CS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine?
The InChIKey is HCBBYARPNPSFPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClNO2S/c1-17-15(12-5-3-2-4-6-12)11-20(18,19)14-9-7-13(16)8-10-14/h2-10,15,17H,11H2,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine?
2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine has a molecular weight of 309.82 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-methyl-1-phenylethanamine is sourced from PubChem (CID 64640001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).