N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide

C11H17NO3S — CID 74229134

IUPACN-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C11H17NO3S/c1-4-16(13,14)12-9(2)10-6-5-7-11(8-10)15-3/h5-9,12H,4H2,1-3H3/t9-/m1/s1
InChIKeyVCNVSKGSBARNFQ-SECBINFHSA-N
MW243.33 g/mol
LogP1.70
Rot. Bonds5

About N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide

N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 74229134) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
PubChem CID74229134
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)N[C@H](C)c1cccc(OC)c1
InChIInChI=1S/C11H17NO3S/c1-4-16(13,14)12-9(2)10-6-5-7-11(8-10)15-3/h5-9,12H,4H2,1-3H3/t9-/m1/s1
InChIKeyVCNVSKGSBARNFQ-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

N-[1-(3-methoxyphenyl)ethyl]butane-1-sulfonamide
CID 22201304
1-bromo-N-[1-(3-methoxyphenyl)ethyl]methanesulfonamide
CID 83086763
4-ethyl-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 22201289
N-[1-(3-methoxyphenyl)ethyl]naphthalene-1-sulfonamide
CID 3805772
N-[1-(3-methoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 45368198
4-amino-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 61126470
1-ethyl-N-[1-(3-methoxyphenyl)ethyl]-5-methylpyrazole-4-sulfonamide
CID 6464788
N-[1-[3-(1,1,2,2-tetrafluoroethoxy)phenyl]ethyl]propane-1-sulfonamide
CID 161129597
3,4-dichloro-N-[1-(3-methoxyphenyl)ethyl]benzenesulfonamide
CID 3870405
1-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]butan-2-ol
CID 81373116
N-[1-(3-fluoro-4-methoxyphenyl)ethyl]ethanesulfonamide
CID 47371507
2-chloro-N-[1-[3-(difluoromethoxy)phenyl]ethyl]ethanesulfonamide
CID 107651305

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide (CID 74229134) is N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)N[C@H](C)c1cccc(OC)c1.
What is the InChIKey of N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is VCNVSKGSBARNFQ-SECBINFHSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-4-16(13,14)12-9(2)10-6-5-7-11(8-10)15-3/h5-9,12H,4H2,1-3H3/t9-/m1/s1.
What are the key properties of N-[(1R)-1-(3-methoxyphenyl)ethyl]ethanesulfonamide?
N-[(1R)-1-(3-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-(3-methoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 74229134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).