N-ethyl-2-methoxy-4-methylsulfonylaniline

C10H15NO3S — CID 170597285

IUPACN-ethyl-2-methoxy-4-methylsulfonylaniline
SMILESCCNc1ccc(S(C)(=O)=O)cc1OC
InChIInChI=1S/C10H15NO3S/c1-4-11-9-6-5-8(15(3,12)13)7-10(9)14-2/h5-7,11H,4H2,1-3H3
InChIKeyPUOFKULSFXQBGP-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.53
Rot. Bonds4

About N-ethyl-2-methoxy-4-methylsulfonylaniline

N-ethyl-2-methoxy-4-methylsulfonylaniline (PubChem CID 170597285) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-ethyl-2-methoxy-4-methylsulfonylaniline.

Molecular Properties

Compound NameN-ethyl-2-methoxy-4-methylsulfonylaniline
PubChem CID170597285
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-ethyl-2-methoxy-4-methylsulfonylaniline
SMILESCCNc1ccc(S(C)(=O)=O)cc1OC
InChIInChI=1S/C10H15NO3S/c1-4-11-9-6-5-8(15(3,12)13)7-10(9)14-2/h5-7,11H,4H2,1-3H3
InChIKeyPUOFKULSFXQBGP-UHFFFAOYSA-N
XLogP1.53
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-4-methylsulfonylaniline?
The IUPAC name of N-ethyl-2-methoxy-4-methylsulfonylaniline (CID 170597285) is N-ethyl-2-methoxy-4-methylsulfonylaniline.
What is the SMILES notation for N-ethyl-2-methoxy-4-methylsulfonylaniline?
The canonical SMILES for N-ethyl-2-methoxy-4-methylsulfonylaniline is CCNc1ccc(S(C)(=O)=O)cc1OC.
What is the InChIKey of N-ethyl-2-methoxy-4-methylsulfonylaniline?
The InChIKey is PUOFKULSFXQBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-4-11-9-6-5-8(15(3,12)13)7-10(9)14-2/h5-7,11H,4H2,1-3H3.
What are the key properties of N-ethyl-2-methoxy-4-methylsulfonylaniline?
N-ethyl-2-methoxy-4-methylsulfonylaniline has a molecular weight of 229.30 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-4-methylsulfonylaniline is sourced from PubChem (CID 170597285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).