N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide

C11H17NO3S — CID 28560659

IUPACN-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C11H17NO3S/c1-4-16(13,14)12-9(2)10-7-5-6-8-11(10)15-3/h5-9,12H,4H2,1-3H3/t9-/m1/s1
InChIKeyLCCDIGFRGUDGHK-SECBINFHSA-N
MW243.33 g/mol
LogP1.70
Rot. Bonds5

About N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide

N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 28560659) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
PubChem CID28560659
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](C)c1ccccc1OC
InChIInChI=1S/C11H17NO3S/c1-4-16(13,14)12-9(2)10-7-5-6-8-11(10)15-3/h5-9,12H,4H2,1-3H3/t9-/m1/s1
InChIKeyLCCDIGFRGUDGHK-SECBINFHSA-N
XLogP1.70
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-chloro-N-[1-(2-methoxyphenyl)ethyl]ethanesulfonamide
CID 107650835
N-[(1S)-1-(2-methoxyphenyl)ethyl]-1-phenylmethanesulfonamide
CID 33037571
N-[1-(5-fluoro-2-methoxyphenyl)ethyl]ethanesulfonamide
CID 47372622
N-[(1R)-1-(2-methoxyphenyl)ethyl]methanesulfonamide
CID 28560460
3-[1-(2-methoxyphenyl)ethylsulfamoyl]propanoic acid
CID 43361900
N-[(1S)-1-(2-propan-2-yloxyphenyl)ethyl]propane-1-sulfonamide
CID 94661169
N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
CID 47070223
3-ethyl-4-methoxy-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 133219535
N-[1-(2,4-dimethoxyphenyl)ethyl]propane-1-sulfonamide
CID 47387329
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
4-chloro-N-[1-(2-methoxyphenyl)ethyl]benzenesulfonamide
CID 18083064
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide (CID 28560659) is N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)N[C@H](C)c1ccccc1OC.
What is the InChIKey of N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is LCCDIGFRGUDGHK-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-4-16(13,14)12-9(2)10-7-5-6-8-11(10)15-3/h5-9,12H,4H2,1-3H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide?
N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 28560659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).