N-methoxy-N-(4-methylphenyl)methanesulfonamide

C9H13NO3S — CID 166448658

IUPACN-methoxy-N-(4-methylphenyl)methanesulfonamide
SMILESCON(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-8-4-6-9(7-5-8)10(13-2)14(3,11)12/h4-7H,1-3H3
InChIKeyQNKNCYANZGLICD-UHFFFAOYSA-N
MW215.27 g/mol
LogP1.32
Rot. Bonds3

About N-methoxy-N-(4-methylphenyl)methanesulfonamide

N-methoxy-N-(4-methylphenyl)methanesulfonamide (PubChem CID 166448658) has the molecular formula C9H13NO3S and a molecular weight of 215.27 g/mol. Its IUPAC name is N-methoxy-N-(4-methylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-methoxy-N-(4-methylphenyl)methanesulfonamide
PubChem CID166448658
Molecular FormulaC9H13NO3S
Molecular Weight215.27 g/mol
Exact Mass215.06
IUPAC NameN-methoxy-N-(4-methylphenyl)methanesulfonamide
SMILESCON(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C9H13NO3S/c1-8-4-6-9(7-5-8)10(13-2)14(3,11)12/h4-7H,1-3H3
InChIKeyQNKNCYANZGLICD-UHFFFAOYSA-N
XLogP1.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-methoxy-4-methyl-N-[2-(trimethyl-λ4-sulfanyl)propan-2-yl]aniline
CID 89370470
N-ethynyl-N-(4-methylphenyl)methanesulfonamide
CID 167716685
4-N-[4-[4-(N,4-dimethylanilino)-N-methylanilino]phenyl]-1-N,4-N-dimethyl-1-N-(4-methylphenyl)benzene-1,4-diamine
CID 90265189
1-[amino(sulfosulfonyl)amino]-4-methylbenzene
CID 141367488
N-[2-(4-methoxyphenyl)ethynyl]-N-(4-methylphenyl)methanesulfonamide
CID 156781325
2-(4-methyl-N-(4-methylphenyl)anilino)ethyl methanesulfonate
CID 91734245
sulfuric acid;1,4-xylene
CID 18423372
1-(4-methylphenyl)-1-methylsulfonyl-3-(oxomethylidene)urea
CID 5010172
N,4-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 800890
methyl methanesulfonate;bis(methyl 4-methylbenzenesulfonate)
CID 159322206
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 69318720

Frequently Asked Questions

What is the IUPAC name of N-methoxy-N-(4-methylphenyl)methanesulfonamide?
The IUPAC name of N-methoxy-N-(4-methylphenyl)methanesulfonamide (CID 166448658) is N-methoxy-N-(4-methylphenyl)methanesulfonamide.
What is the SMILES notation for N-methoxy-N-(4-methylphenyl)methanesulfonamide?
The canonical SMILES for N-methoxy-N-(4-methylphenyl)methanesulfonamide is CON(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-methoxy-N-(4-methylphenyl)methanesulfonamide?
The InChIKey is QNKNCYANZGLICD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO3S/c1-8-4-6-9(7-5-8)10(13-2)14(3,11)12/h4-7H,1-3H3.
What are the key properties of N-methoxy-N-(4-methylphenyl)methanesulfonamide?
N-methoxy-N-(4-methylphenyl)methanesulfonamide has a molecular weight of 215.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxy-N-(4-methylphenyl)methanesulfonamide is sourced from PubChem (CID 166448658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).