N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide

C11H17NO3S — CID 4160042

IUPACN-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(13,14)12-9-8-10-4-6-11(15-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
InChIKeyNFHYYDCMEQIAJS-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.18
Rot. Bonds6

About N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide

N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide (PubChem CID 4160042) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
PubChem CID4160042
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide
SMILESCCS(=O)(=O)NCCc1ccc(OC)cc1
InChIInChI=1S/C11H17NO3S/c1-3-16(13,14)12-9-8-10-4-6-11(15-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3
InChIKeyNFHYYDCMEQIAJS-UHFFFAOYSA-N
XLogP1.18
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide (CID 4160042) is N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide is CCS(=O)(=O)NCCc1ccc(OC)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide?
The InChIKey is NFHYYDCMEQIAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-3-16(13,14)12-9-8-10-4-6-11(15-2)7-5-10/h4-7,12H,3,8-9H2,1-2H3.
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide?
N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]ethanesulfonamide is sourced from PubChem (CID 4160042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).