4-(methoxymethyl)-3-methylbenzenesulfonamide

C9H13NO3S — CID 83271766

IUPAC4-(methoxymethyl)-3-methylbenzenesulfonamide
SMILESCOCc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C9H13NO3S/c1-7-5-9(14(10,11)12)4-3-8(7)6-13-2/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeyHCGNUEMQWPVRJG-UHFFFAOYSA-N
MW215.27 g/mol
LogP0.79
Rot. Bonds3

About 4-(methoxymethyl)-3-methylbenzenesulfonamide

4-(methoxymethyl)-3-methylbenzenesulfonamide (PubChem CID 83271766) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is 4-(methoxymethyl)-3-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-(methoxymethyl)-3-methylbenzenesulfonamide
PubChem CID83271766
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC Name4-(methoxymethyl)-3-methylbenzenesulfonamide
SMILESCOCc1ccc(S(N)(=O)=O)cc1C
InChIInChI=1S/C9H13NO3S/c1-7-5-9(14(10,11)12)4-3-8(7)6-13-2/h3-5H,6H2,1-2H3,(H2,10,11,12)
InChIKeyHCGNUEMQWPVRJG-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

1,4-bis(methoxymethyl)-2-methylbenzene
CID 19879640
1,1,3,3-tetramethyl-2-[(2-methyl-4-sulfamoylphenyl)methyl]guanidine
CID 122082186
3-methyl-4-(piperidin-1-ylmethyl)benzenesulfonamide
CID 83271735
3-(methoxymethyl)-4-(3-methyl-4-methylsulfanylphenoxy)benzenesulfonamide
CID 44609060
4-hydroxy-3-methylbenzenesulfonamide
CID 57108308
[4-(methoxymethyl)-3-methylphenyl]methanamine
CID 88997132
4-[(2-methylphenyl)methoxy]benzenesulfonamide
CID 43164522
3-methyl-4-prop-2-enoxybenzenesulfonamide
CID 82921078
4-butoxy-3-methylbenzenesulfonamide
CID 43164510
3-[[5-(4-fluorophenyl)-1,3-oxazol-2-yl]amino]-4-(methoxymethyl)benzenesulfonamide
CID 91556449
3-(1-methoxypropan-2-ylamino)-4-methylbenzenesulfonamide
CID 62536999
4-(aminomethyl)-N-(2-methoxyethyl)-3-methylbenzenesulfonamide
CID 106919075

Frequently Asked Questions

What is the IUPAC name of 4-(methoxymethyl)-3-methylbenzenesulfonamide?
The IUPAC name of 4-(methoxymethyl)-3-methylbenzenesulfonamide (CID 83271766) is 4-(methoxymethyl)-3-methylbenzenesulfonamide.
What is the SMILES notation for 4-(methoxymethyl)-3-methylbenzenesulfonamide?
The canonical SMILES for 4-(methoxymethyl)-3-methylbenzenesulfonamide is COCc1ccc(S(N)(=O)=O)cc1C.
What is the InChIKey of 4-(methoxymethyl)-3-methylbenzenesulfonamide?
The InChIKey is HCGNUEMQWPVRJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-7-5-9(14(10,11)12)4-3-8(7)6-13-2/h3-5H,6H2,1-2H3,(H2,10,11,12).
What are the key properties of 4-(methoxymethyl)-3-methylbenzenesulfonamide?
4-(methoxymethyl)-3-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)-3-methylbenzenesulfonamide is sourced from PubChem (CID 83271766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).