4-(methoxymethyl)-2-methylbenzenesulfonamide

C9H13NO3S — CID 83271496

IUPAC4-(methoxymethyl)-2-methylbenzenesulfonamide
SMILESCOCc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C9H13NO3S/c1-7-5-8(6-13-2)3-4-9(7)14(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeyCQAOJBOACIKOGD-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.79
Rot. Bonds3

About 4-(methoxymethyl)-2-methylbenzenesulfonamide

4-(methoxymethyl)-2-methylbenzenesulfonamide (PubChem CID 83271496) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(methoxymethyl)-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(methoxymethyl)-2-methylbenzenesulfonamide
PubChem CID83271496
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name4-(methoxymethyl)-2-methylbenzenesulfonamide
SMILESCOCc1ccc(S(N)(=O)=O)c(C)c1
InChIInChI=1S/C9H13NO3S/c1-7-5-8(6-13-2)3-4-9(7)14(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeyCQAOJBOACIKOGD-UHFFFAOYSA-N
XLogP0.79
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-2-methylbenzenesulfonamide?
The IUPAC name of 4-(methoxymethyl)-2-methylbenzenesulfonamide (CID 83271496) is 4-(methoxymethyl)-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-(methoxymethyl)-2-methylbenzenesulfonamide?
The canonical SMILES for 4-(methoxymethyl)-2-methylbenzenesulfonamide is COCc1ccc(S(N)(=O)=O)c(C)c1.
What is the InChIKey of 4-(methoxymethyl)-2-methylbenzenesulfonamide?
The InChIKey is CQAOJBOACIKOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-5-8(6-13-2)3-4-9(7)14(10,11)12/h3-5H,6H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-(methoxymethyl)-2-methylbenzenesulfonamide?
4-(methoxymethyl)-2-methylbenzenesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(methoxymethyl)-2-methylbenzenesulfonamide is sourced from PubChem (CID 83271496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).