4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide

C11H17NO3S — CID 1232467

IUPAC4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(N)(=O)=O)cc1C(C)C
InChIInChI=1S/C11H17NO3S/c1-7(2)9-6-11(16(12,13)14)8(3)5-10(9)15-4/h5-7H,1-4H3,(H2,12,13,14)
InChIKeyHUGWDIORKXMWNN-UHFFFAOYSA-N
MW243.33 g/mol
LogP1.77
Rot. Bonds3

About 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide

4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide (PubChem CID 1232467) has the molecular formula C11H17NO3S and a molecular weight of 243.33 g/mol. Its IUPAC name is 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
PubChem CID1232467
Molecular FormulaC11H17NO3S
Molecular Weight243.33 g/mol
Exact Mass243.09
IUPAC Name4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide
SMILESCOc1cc(C)c(S(N)(=O)=O)cc1C(C)C
InChIInChI=1S/C11H17NO3S/c1-7(2)9-6-11(16(12,13)14)8(3)5-10(9)15-4/h5-7H,1-4H3,(H2,12,13,14)
InChIKeyHUGWDIORKXMWNN-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,7,8-Trimethyl-2-(4-methylpentyl)-3,4-dihydrochromene-6-sulfonamide
CID 89943874
4-Methoxy-3-methylbenzenesulfonamide
CID 847787
4-Methoxy-2,3,6-trimethylbenzenesulfonyl chloride
CID 562787
1-Ethyl-4-(4-methoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 701306
1-[(4-Methoxy-2,5-dimethylphenyl)sulfonyl]-4-methylpiperazine
CID 801474
N,3-ditert-butyl-4-methoxybenzenesulfonamide
CID 9267355
N-(benzyloxy)-4-methoxy-2,3,6-trimethylbenzenesulfonamide
CID 834802
4-[(5-Isopropyl-4-methoxy-2-methylphenyl)sulfonyl]morpholine
CID 847895
1-(4-Methoxy-2-methyl-5-propan-2-ylphenyl)sulfonylpyrrolidine
CID 1265276
4-Methoxy-2-methylbenzenesulfonamide
CID 264648
1-(4-Methoxy-2,5-dimethylphenyl)sulfonylpyrrolidine
CID 849957
1-[(4-Methoxy-2,3,5-trimethylphenyl)sulfonyl]pyrrolidine
CID 972180

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide (CID 1232467) is 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide is COc1cc(C)c(S(N)(=O)=O)cc1C(C)C.
What is the InChIKey of 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
The InChIKey is HUGWDIORKXMWNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3S/c1-7(2)9-6-11(16(12,13)14)8(3)5-10(9)15-4/h5-7H,1-4H3,(H2,12,13,14).
What are the key properties of 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide?
4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide has a molecular weight of 243.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-5-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 1232467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).