4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide

C15H17NO4S — CID 63985143

IUPAC4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide
SMILESCOCc1cccc(Oc2ccc(S(N)(=O)=O)c(C)c2)c1
InChIInChI=1S/C15H17NO4S/c1-11-8-14(6-7-15(11)21(16,17)18)20-13-5-3-4-12(9-13)10-19-2/h3-9H,10H2,1-2H3,(H2,16,17,18)
InChIKeyHCNLUDGWNGMBOB-UHFFFAOYSA-N
MW307.37 g/mol
LogP2.58
Rot. Bonds5

About 4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide

4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide (PubChem CID 63985143) has the molecular formula C15H17NO4S and a molecular weight of 307.37 g/mol. Its IUPAC name is 4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide
PubChem CID63985143
Molecular FormulaC15H17NO4S
Molecular Weight307.37 g/mol
Exact Mass307.09
IUPAC Name4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide
SMILESCOCc1cccc(Oc2ccc(S(N)(=O)=O)c(C)c2)c1
InChIInChI=1S/C15H17NO4S/c1-11-8-14(6-7-15(11)21(16,17)18)20-13-5-3-4-12(9-13)10-19-2/h3-9H,10H2,1-2H3,(H2,16,17,18)
InChIKeyHCNLUDGWNGMBOB-UHFFFAOYSA-N
XLogP2.58
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide?
The IUPAC name of 4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide (CID 63985143) is 4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide is COCc1cccc(Oc2ccc(S(N)(=O)=O)c(C)c2)c1.
What is the InChIKey of 4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide?
The InChIKey is HCNLUDGWNGMBOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO4S/c1-11-8-14(6-7-15(11)21(16,17)18)20-13-5-3-4-12(9-13)10-19-2/h3-9H,10H2,1-2H3,(H2,16,17,18).
What are the key properties of 4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide?
4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methoxymethyl)phenoxy]-2-methylbenzenesulfonamide is sourced from PubChem (CID 63985143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).