(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide

C11H17NO3S — CID 150791377

IUPAC(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
SMILESCOc1cc(C)c(CS(N)(=O)=O)c(C)c1C
InChIInChI=1S/C11H17NO3S/c1-7-5-11(15-4)9(3)8(2)10(7)6-16(12,13)14/h5H,6H2,1-4H3,(H2,12,13,14)
InChIKeyKDXRADPFHXAVJF-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.41
Rot. Bonds3

About (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide

(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide (PubChem CID 150791377) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide.

Molecular Properties

Compound Name(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
PubChem CID150791377
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide
SMILESCOc1cc(C)c(CS(N)(=O)=O)c(C)c1C
InChIInChI=1S/C11H17NO3S/c1-7-5-11(15-4)9(3)8(2)10(7)6-16(12,13)14/h5H,6H2,1-4H3,(H2,12,13,14)
InChIKeyKDXRADPFHXAVJF-UHFFFAOYSA-N
XLogP1.41
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.33
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2-hydroxy-4-methoxy-3,6-dimethylphenyl)methanesulfonyl chloride
CID 117416230
(2,4-dimethoxy-3,6-dimethylphenyl)methanamine
CID 84666288
(4-methoxy-3-methylphenyl)methanesulfonamide
CID 114999092
4-methoxy-2,3,6-trimethyl-N-(2-sulfamoylethyl)benzenesulfonamide
CID 171675227
3-(4-methoxy-2,3,6-trimethylphenyl)-2-methylpropan-1-amine
CID 116924769
2-(4-methoxy-2,3,6-trimethylphenyl)ethylurea
CID 115168578
1-(4-methoxy-2,3,6-trimethylphenyl)propan-2-ol
CID 117114494
2-methoxy-4,5-dimethylbenzenesulfonamide
CID 27241719
2-[(4-methoxy-2,3,6-trimethylphenyl)methyl]prop-2-enoic acid
CID 116866294
2-amino-3-(4-methoxy-2,3,6-trimethylphenyl)propanenitrile
CID 116851197
N'-[2-(4-methoxy-2,3,6-trimethylphenyl)ethyl]-N'-methylmethanediamine
CID 115226303
5-(4-methoxy-2,3,6-trimethylphenyl)-4-methylpentan-2-amine
CID 83939352

Frequently Asked Questions

What is the IUPAC name of (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide?
The IUPAC name of (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide (CID 150791377) is (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide.
What is the SMILES notation for (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide?
The canonical SMILES for (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide is COc1cc(C)c(CS(N)(=O)=O)c(C)c1C.
What is the InChIKey of (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide?
The InChIKey is KDXRADPFHXAVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-7-5-11(15-4)9(3)8(2)10(7)6-16(12,13)14/h5H,6H2,1-4H3,(H2,12,13,14).
What are the key properties of (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide?
(4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxy-2,3,6-trimethylphenyl)methanesulfonamide is sourced from PubChem (CID 150791377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).