N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide

C17H18ClNO3S — CID 28544473

IUPACN-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO3S/c1-3-23(21,22)16-10-5-4-9-15(16)17(20)19-12(2)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyGCMVAJCPJLQIRM-GFCCVEGCSA-N
MW351.86 g/mol
LogP3.62
Rot. Bonds5

About N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide

N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide (PubChem CID 28544473) has the molecular formula C17H18ClNO3S and a molecular weight of 351.86 g/mol. Its IUPAC name is N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide
PubChem CID28544473
Molecular FormulaC17H18ClNO3S
Molecular Weight351.86 g/mol
Exact Mass351.07
IUPAC NameN-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide
SMILESCCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cccc(Cl)c1
InChIInChI=1S/C17H18ClNO3S/c1-3-23(21,22)16-10-5-4-9-15(16)17(20)19-12(2)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1
InChIKeyGCMVAJCPJLQIRM-GFCCVEGCSA-N
XLogP3.62
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-N-[(1R)-1-(3-chlorophenyl)ethyl]benzamide
CID 81372365
(2R)-2-[(2-ethylsulfonylbenzoyl)amino]propanoic acid
CID 54991408
5-chloro-N-[1-(3-chlorophenyl)ethyl]-2-fluorobenzamide
CID 60674500
N-[(1S)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylacetamide
CID 94090708
2-chloro-N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-3-carboxamide
CID 26908020
[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-methylsulfonylbenzoate
CID 7725552
2-chloro-N-[2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]-2-oxoethyl]benzamide
CID 9164728
N-[(1R)-1-(2,5-dimethylfuran-3-yl)ethyl]-2-ethylsulfonylbenzamide
CID 94799638
1-[1-(3-chlorophenyl)ethyl]-3-pentan-2-ylurea
CID 42952666
5-amino-N-[1-(3-chlorophenyl)ethyl]-2,4-dimethylbenzamide
CID 102705159
(2S,3R)-2-[(2-ethylsulfonylbenzoyl)amino]-3-hydroxybutanoic acid
CID 104965009
N-[(1R)-1-(3-chlorophenyl)ethyl]pyridine-2-carboxamide
CID 26907996

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide (CID 28544473) is N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide is CCS(=O)(=O)c1ccccc1C(=O)N[C@H](C)c1cccc(Cl)c1.
What is the InChIKey of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide?
The InChIKey is GCMVAJCPJLQIRM-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H18ClNO3S/c1-3-23(21,22)16-10-5-4-9-15(16)17(20)19-12(2)13-7-6-8-14(18)11-13/h4-12H,3H2,1-2H3,(H,19,20)/t12-/m1/s1.
What are the key properties of N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide?
N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide has a molecular weight of 351.86 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-chlorophenyl)ethyl]-2-ethylsulfonylbenzamide is sourced from PubChem (CID 28544473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).