N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide

C16H18ClNO2S — CID 94605874

IUPACN-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide
SMILESC[C@H](c1ccccc1Cl)N(C)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-13(15-10-6-7-11-16(15)17)18(2)21(19,20)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeySVMMNRULFLMETL-CYBMUJFWSA-N
MW323.85 g/mol
LogP3.86
Rot. Bonds5

About N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide

N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide (PubChem CID 94605874) has the molecular formula C16H18ClNO2S and a molecular weight of 323.85 g/mol. Its IUPAC name is N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide
PubChem CID94605874
Molecular FormulaC16H18ClNO2S
Molecular Weight323.85 g/mol
Exact Mass323.07
IUPAC NameN-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide
SMILESC[C@H](c1ccccc1Cl)N(C)S(=O)(=O)Cc1ccccc1
InChIInChI=1S/C16H18ClNO2S/c1-13(15-10-6-7-11-16(15)17)18(2)21(19,20)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1
InChIKeySVMMNRULFLMETL-CYBMUJFWSA-N
XLogP3.86
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-1-phenylmethanesulfonamide;hydrochloride
CID 119982693
1-benzylsulfonyl-4-[(1S)-1-(2-chlorophenyl)ethyl]piperazine
CID 9443316
N-[(2S)-2-hydroxypropyl]-N-methyl-1-phenylmethanesulfonamide
CID 94404339
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 61047048
1-(2-chlorophenyl)-N-ethyl-N-methylethanamine
CID 126986399
N-[(2-chloro-6-fluorophenyl)methyl-methylsulfamoyl]-1-(2-chlorophenyl)-N-methylethanamine
CID 112845360
3-bromo-N-[1-(2-chlorophenyl)ethyl]-N-methylbenzenesulfonamide
CID 61059692
N-[1-(2-chlorophenyl)ethyl]-N-methyl-1H-pyrazole-5-sulfonamide
CID 102692112
1-chloro-N-methyl-N-(1-phenylethyl)methanesulfonamide
CID 63665534
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
CID 61046860
N-(hydroxymethyl)-N-methyl-1-phenylmethanesulfonamide
CID 21297481
6-amino-N-[1-(2-chlorophenyl)ethyl]-N-methylpyridine-3-sulfonamide
CID 62980326

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide?
The IUPAC name of N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide (CID 94605874) is N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide?
The canonical SMILES for N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide is C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)Cc1ccccc1.
What is the InChIKey of N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide?
The InChIKey is SVMMNRULFLMETL-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H18ClNO2S/c1-13(15-10-6-7-11-16(15)17)18(2)21(19,20)12-14-8-4-3-5-9-14/h3-11,13H,12H2,1-2H3/t13-/m1/s1.
What are the key properties of N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide?
N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide has a molecular weight of 323.85 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-chlorophenyl)ethyl]-N-methyl-1-phenylmethanesulfonamide is sourced from PubChem (CID 94605874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).