(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine

C17H20ClNO2S — CID 129398374

IUPAC(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
SMILESCCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2S/c1-3-22(20,21)17-10-4-14(5-11-17)12-19-13(2)15-6-8-16(18)9-7-15/h4-11,13,19H,3,12H2,1-2H3/t13-/m1/s1
InChIKeyQSVKMVFDBTYQCD-CYBMUJFWSA-N
MW337.87 g/mol
LogP3.98
Rot. Bonds6

About (1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine

(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine (PubChem CID 129398374) has the molecular formula C17H20ClNO2S and a molecular weight of 337.87 g/mol. Its IUPAC name is (1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
PubChem CID129398374
Molecular FormulaC17H20ClNO2S
Molecular Weight337.87 g/mol
Exact Mass337.09
IUPAC Name(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
SMILESCCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H20ClNO2S/c1-3-22(20,21)17-10-4-14(5-11-17)12-19-13(2)15-6-8-16(18)9-7-15/h4-11,13,19H,3,12H2,1-2H3/t13-/m1/s1
InChIKeyQSVKMVFDBTYQCD-CYBMUJFWSA-N
XLogP3.98
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.87
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(4-chlorophenyl)-N-[[4-(difluoromethyl)phenyl]methyl]ethanamine
CID 115524132
1-[(4-ethylsulfonylphenyl)methylamino]ethanol
CID 175910689
(1R)-N-[(4-chlorophenyl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 28738276
N,N-dimethyl-4-[(1S)-1-[(4-propan-2-ylphenyl)methylamino]ethyl]benzenesulfonamide
CID 94195074
N-[(4-chlorophenyl)methyl]-1-(3,5-dimethylphenyl)ethanamine
CID 78950390
1-(2,4-difluorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine
CID 122135317
4-chloro-N-[1-(4-ethylphenyl)ethyl]benzenesulfonamide
CID 22200952
4-[1-[(4-bromophenyl)methylamino]ethyl]benzenesulfonamide
CID 43426311
4-[[1-(3-chlorophenyl)ethylamino]methyl]benzenesulfonamide
CID 43093327
1-(3-chlorophenyl)-N-[(4-chlorophenyl)methyl]ethanamine
CID 43080024
1-(4-chlorophenyl)-N-[(3,5-difluorophenyl)methyl]ethanamine
CID 115623666
(1R)-N-[(3-bromo-4-chlorophenyl)methyl]-1-(4-chlorophenyl)ethanamine
CID 83230349

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine (CID 129398374) is (1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine is CCS(=O)(=O)c1ccc(CN[C@H](C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine?
The InChIKey is QSVKMVFDBTYQCD-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H20ClNO2S/c1-3-22(20,21)17-10-4-14(5-11-17)12-19-13(2)15-6-8-16(18)9-7-15/h4-11,13,19H,3,12H2,1-2H3/t13-/m1/s1.
What are the key properties of (1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine?
(1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine has a molecular weight of 337.87 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chlorophenyl)-N-[(4-ethylsulfonylphenyl)methyl]ethanamine is sourced from PubChem (CID 129398374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).