(4-methoxy-3-methylphenyl)methanesulfonamide

C9H13NO3S — CID 114999092

IUPAC(4-methoxy-3-methylphenyl)methanesulfonamide
SMILESCOc1ccc(CS(N)(=O)=O)cc1C
InChIInChI=1S/C9H13NO3S/c1-7-5-8(6-14(10,11)12)3-4-9(7)13-2/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeyALSAFLFAWIHQCY-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.79
Rot. Bonds3

About (4-methoxy-3-methylphenyl)methanesulfonamide

(4-methoxy-3-methylphenyl)methanesulfonamide (PubChem CID 114999092) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is (4-methoxy-3-methylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(4-methoxy-3-methylphenyl)methanesulfonamide
PubChem CID114999092
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name(4-methoxy-3-methylphenyl)methanesulfonamide
SMILESCOc1ccc(CS(N)(=O)=O)cc1C
InChIInChI=1S/C9H13NO3S/c1-7-5-8(6-14(10,11)12)3-4-9(7)13-2/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeyALSAFLFAWIHQCY-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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Related Compounds

(4-methoxy-3-methylphenyl)methanesulfonyl chloride
CID 82239883
[4-[6-(4-methoxy-3-methylphenyl)spiro[2.4]hept-5-en-5-yl]phenyl]methanesulfonamide
CID 139746253
N-[(4-methoxy-3-methylphenyl)methyl]-1-(4-methylphenyl)methanesulfonamide
CID 110779823
(4-methoxy-3-methylphenyl)methylphosphane
CID 89138390
(3-fluoro-4-methylphenyl)methanesulfonamide
CID 63648807
(4-methoxy-3-methylphenyl)methylhydrazine
CID 53404033
1-(4-methoxy-3-methylphenyl)propane-2,2-diamine
CID 166666114
2-(4-methoxy-3-methylphenyl)-N-(4-sulfamoylphenyl)acetamide
CID 16848496
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
CID 150791377
N-[(4-methoxy-3-methylphenyl)methyl]-4-methylbenzenesulfonamide
CID 110779808
N-[2-[(4-methoxy-3-methylphenyl)methylamino]ethyl]methanesulfonamide
CID 43771862
3-(4-methoxy-3-methylphenyl)-2-methylpropan-1-amine
CID 83818376

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-3-methylphenyl)methanesulfonamide?
The IUPAC name of (4-methoxy-3-methylphenyl)methanesulfonamide (CID 114999092) is (4-methoxy-3-methylphenyl)methanesulfonamide.
What is the SMILES notation for (4-methoxy-3-methylphenyl)methanesulfonamide?
The canonical SMILES for (4-methoxy-3-methylphenyl)methanesulfonamide is COc1ccc(CS(N)(=O)=O)cc1C.
What is the InChIKey of (4-methoxy-3-methylphenyl)methanesulfonamide?
The InChIKey is ALSAFLFAWIHQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-5-8(6-14(10,11)12)3-4-9(7)13-2/h3-5H,6H2,1-2H3,(H2,10,11,12).
What are the key properties of (4-methoxy-3-methylphenyl)methanesulfonamide?
(4-methoxy-3-methylphenyl)methanesulfonamide 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-methoxy-3-methylphenyl)methanesulfonamide is sourced from PubChem (CID 114999092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).