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

C16H19NO3S — CID 91824000

IUPAC3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H19NO3S/c1-11-8-12(2)16(13(3)9-11)17-21(18,19)15-7-5-6-14(10-15)20-4/h5-10,17H,1-4H3
InChIKeyDLOVYSCAOWIMBP-UHFFFAOYSA-N
MW305.40 g/mol
LogP3.42
Rot. Bonds4

About 3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide

3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide (PubChem CID 91824000) has the molecular formula C16H19NO3S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
PubChem CID91824000
Molecular FormulaC16H19NO3S
Molecular Weight305.40 g/mol
Exact Mass305.11
IUPAC Name3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1
InChIInChI=1S/C16H19NO3S/c1-11-8-12(2)16(13(3)9-11)17-21(18,19)15-7-5-6-14(10-15)20-4/h5-10,17H,1-4H3
InChIKeyDLOVYSCAOWIMBP-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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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The IUPAC name of 3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide (CID 91824000) is 3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide.
What is the SMILES notation for 3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The canonical SMILES for 3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide is COc1cccc(S(=O)(=O)Nc2c(C)cc(C)cc2C)c1.
What is the InChIKey of 3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
The InChIKey is DLOVYSCAOWIMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3S/c1-11-8-12(2)16(13(3)9-11)17-21(18,19)15-7-5-6-14(10-15)20-4/h5-10,17H,1-4H3.
What are the key properties of 3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide?
3-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 3-methoxy-N-(2,4,6-trimethylphenyl)benzenesulfonamide is sourced from PubChem (CID 91824000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).