4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide

C16H19NO3S — CID 743974

IUPAC4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
InChIKeyFQUAFMNPXPXOJE-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.42
Rot. Bonds4

About 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide

4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 743974) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID743974
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1
InChIInChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3
InChIKeyFQUAFMNPXPXOJE-UHFFFAOYSA-N
XLogP3.42
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methoxy-N-[6-(2,4,6-trimethylanilino)-3-pyridinyl]benzenesulfonamide
CID 113017943
4-methoxy-N-(5-methoxy-2-methylphenyl)benzenesulfonamide
CID 4564561
methyl 5-ethyl-2-[(4-methoxyphenyl)sulfonylamino]-3-methylbenzoate
CID 54295788
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
N-(4,6-dimethylpyrimidin-2-yl)-4-methoxybenzenesulfonamide
CID 717519
4-methoxy-N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)benzenesulfonamide
CID 122302660
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
4-[(4-chlorophenyl)sulfonylamino]-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 3637891
N-(4-chloro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 4995778
N-(5-fluoro-2-methylphenyl)-4-methoxybenzenesulfonamide
CID 6470178
N-(2-amino-4-methylphenyl)-4-methoxybenzenesulfonamide
CID 43259140
3-amino-5-methyl-N-(2,4,6-trimethylphenyl)benzenesulfonamide
CID 43256286

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 743974) is 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)cc1.
What is the InChIKey of 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is FQUAFMNPXPXOJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-9-12(2)16(13(3)10-11)17-21(18,19)15-7-5-14(20-4)6-8-15/h5-10,17H,1-4H3.
What are the key properties of 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 743974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).