N-ethyl-4-methoxy-3-methylbenzenesulfonamide

C10H15NO3S — CID 894026

IUPACN-ethyl-4-methoxy-3-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C10H15NO3S/c1-4-11-15(12,13)9-5-6-10(14-3)8(2)7-9/h5-7,11H,4H2,1-3H3
InChIKeyZEIFYZYYFAFHPP-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.30
Rot. Bonds4

About N-ethyl-4-methoxy-3-methylbenzenesulfonamide

N-ethyl-4-methoxy-3-methylbenzenesulfonamide (PubChem CID 894026) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is N-ethyl-4-methoxy-3-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-ethyl-4-methoxy-3-methylbenzenesulfonamide
PubChem CID894026
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC NameN-ethyl-4-methoxy-3-methylbenzenesulfonamide
SMILESCCNS(=O)(=O)c1ccc(OC)c(C)c1
InChIInChI=1S/C10H15NO3S/c1-4-11-15(12,13)9-5-6-10(14-3)8(2)7-9/h5-7,11H,4H2,1-3H3
InChIKeyZEIFYZYYFAFHPP-UHFFFAOYSA-N
XLogP1.30
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methoxy-3-methylbenzenesulfonamide?
The IUPAC name of N-ethyl-4-methoxy-3-methylbenzenesulfonamide (CID 894026) is N-ethyl-4-methoxy-3-methylbenzenesulfonamide.
What is the SMILES notation for N-ethyl-4-methoxy-3-methylbenzenesulfonamide?
The canonical SMILES for N-ethyl-4-methoxy-3-methylbenzenesulfonamide is CCNS(=O)(=O)c1ccc(OC)c(C)c1.
What is the InChIKey of N-ethyl-4-methoxy-3-methylbenzenesulfonamide?
The InChIKey is ZEIFYZYYFAFHPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO3S/c1-4-11-15(12,13)9-5-6-10(14-3)8(2)7-9/h5-7,11H,4H2,1-3H3.
What are the key properties of N-ethyl-4-methoxy-3-methylbenzenesulfonamide?
N-ethyl-4-methoxy-3-methylbenzenesulfonamide has a molecular weight of 229.30 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methoxy-3-methylbenzenesulfonamide is sourced from PubChem (CID 894026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).